MedWorm.com provides a medical RSS filtering service. Over 6000 RSS medical sources are combined and output via different filters. This feed contains the latest items from the 'Medicinal Chemistry Research' source. Thu, 09 Feb 2012 13:01:51 +0100 http://www.medworm.com/index.php?rid=5673211&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F8476385v55431356%2F Abstract  A series of compounds 4-(4-(4-aminophenyl)-6-(aryl)-1,6-dihydropyrimidin-2-ylthio)butanenitriles 5a–l were synthesised by the reaction of allyl cyanide 4 with 3a–l. Compounds 3a–l were prepared from reaction between various chalcones 1a–l and thiourea in presence of catalytic amount of potassium hydroxide. Compounds 3a–l, and 5a–l were prepared by classical as well as MWI methods. Structures of the compounds were characterized by IR, 1H NMR, 13C NMR and mass spectral data. The newly synthesized compounds 5a–l were screened for their antimicrobial activity against different strains of bacteria and fungi using serial broth dilution method. Compounds 5e, 5g and 5k were found to be most active with MIC of 25 μg/mL against selected bacterial strains, whi... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5673211 Fri, 03 Feb 2012 17:51:17 +0100 5673211 http://www.medworm.com/index.php?rid=5663772&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fv0g164mm47470363%2F Abstract  A new series of isoxazole fused indanones were synthesized form indane-1,3-dione. The newly synthesized derivatives were confirmed by IR, 1H NMR, and mass spectral data. The synthesized title compounds were evaluated for analgesic, anti-inflammatory, and antimicrobial activities. The modifications carried out in indanone had a positive effect in anti-inflammatory activity when compared to that of other pharmacological activities. The compounds BD 6 , BD 7 , BD 9 , BD 10 , and BD 11 showed good anti-inflammatory activity when compared to that of standard indomethacin. BD 3 , BD 4 , and BD 5 compounds possess moderate anti-inflammatory activity. Some compounds possess moderate analgesic and antimicrobial activity. Docking study reveals ... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5663772 Thu, 02 Feb 2012 17:59:03 +0100 5663772 http://www.medworm.com/index.php?rid=5663773&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F8771375577127608%2F Abstract  4-Aminopyridine (4AP) potentiates acetylcholine (ACh) release by blocking potassium channel in axon terminal and can be used in the treatment of Alzheimer’s type of dementia and cognitive disorder. It is reported that ACh is well related with memory and learning. On the basis of these fact, we decided to synthesis and evaluate some new Schiff bases of 4AP (SBAPs) for their putative cognition enhancing, antiamnesic, and anticholinesterase activity. The synthesized and purified SBAPs were characterized by elemental analysis, UV, FTIR, 1H-, and 13C-NMR. SBAPs facilitated the learning on elevated plus maze model and they also significantly reversed the scopolamine-induced amnesia on the same model. The effect of SBAPs on learning and memory was qualitatively similar ... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5663773 Wed, 01 Feb 2012 17:13:42 +0100 5663773 http://www.medworm.com/index.php?rid=5663774&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F741x316567626425%2F In this study, we used the DPV method to determine the serum level of carbamazepine in rabbits. Blood samples were obtained from rabbits which had been fed carbamazepine. The serum concentration of carbamazepine from DPV using glassy carbon electrode and fluorescence polarization immunoassay (FPIA) technique was compared using a correlation test. In addition, DPV and FPIA techniques in carbamazepine detection were evaluated for precision, linearity, and detection limits using a standard solution. The correlation between the carbamazepine concentrations from DPV compared with those by FPIA was good (RSQ = 0.998). In addition, the coefficient of variation (CV) for the DPV technique and the FPIA technique were low. The precision and detection limit for both methods were satisf... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5663774 Tue, 31 Jan 2012 07:05:19 +0100 5663774 http://www.medworm.com/index.php?rid=5643321&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fy58u658204442402%2F Abstract  Several new 4(3H)-1,2,3-benzotriazinone derivatives were synthesized and tested for their anti-inflammatory activity and ulcerogenic effect. A docking study on the COX-2 binding pocket has been carried out for the target compounds to rationalize the possible selectivity. Among the tested compounds, the benzotriazinones linked to either thiadiazole (8) or oxadiazole (9) evoked the highest anti-inflammatory activity as well as the best binding profiles into the COX-2 binding site. Content Type Journal ArticleCategory Original ResearchPages 1-12DOI 10.1007/s00044-012-9975-3Authors Tarek S. Ibrahim, Department of Pharmaceutical Organic Chemistry, Faculty of Pharmacy, Zagazig University, Zagazig, 44511 EgyptAdel A. Rashad, Department of Medicinal Chemistry, Faculty... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5643321 Fri, 27 Jan 2012 17:56:03 +0100 5643321 http://www.medworm.com/index.php?rid=5643320&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F01852m5w44153556%2F Abstract  In an attempt to find a new class of antimicrobial agents, a series of fused chromenone derivatives containing pyridine and quinoline moieties were prepared via the reaction of 4-chloro-2-oxo-2H-chromene-3-carbaldehydes with cyclopentanone or cyclohexanone or α-tetralone in the presence of ammonium acetate in refluxing glacial acetic acid. The target molecules were also synthesized using interchange component strategy. These compounds were screened for their antibacterial activity against Gram-positive bacteria (Staphylococcus aureus and Streptococcus pyogenes), Gram-negative bacteria (Pseudomonas phaseolicola and Pseudomonas fluorescens), and antifungal activity against Fusarium oxysporum and Aspergillus niger. The compounds exhibited good to moderate antibacterial... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5643320 Fri, 27 Jan 2012 17:56:03 +0100 5643320 http://www.medworm.com/index.php?rid=5643322&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Ft568262731k5x677%2F Abstract  A toxicology screen checks a person’s blood or urine or both for the presence of drugs or other toxic substances. The screen can determine the type and amount of drugs or other toxic substances a person may have swallowed, injected, or inhaled. A quantitative structure–retention relationship (QSRR) was developed using the partial least square (PLS), Kernel PLS (KPLS), and Levenberg–Marquardt artificial neural network (L–M ANN) approach for the study of chemometrics. The data which contained retention time (RT) of the 175 toxicological screening of basic drugs in whole blood and tested on authentic samples were obtained by ultra performance liquid chromatography coupled with time-of-flight mass spectrometry. Genetic algorithm (GA) was employed as a factor s... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5643322 Wed, 25 Jan 2012 18:11:46 +0100 5643322 http://www.medworm.com/index.php?rid=5643325&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fv4348281g6620100%2F Abstract  Five (2a–e) benzenesulfonylurea derivatives bearing pyridazinone were synthesized by refluxing the appropriate 6-aryl-2-(p-sulfamylphenyl)-4,5-dihydropyridazine-3(2H)-one with benzylisocyanate in dry acetone over anhydrous K2CO3. These compounds were characterized by elemental analysis and various spectroscopic techniques viz; IR, 1H NMR, 13C NMR, and MS data. These compounds (2a–e) at the dose of 20 mg/kg were tested for blood glucose lowering activity in glucose-fed hyperglycemic normal rats. Compound 2b showed more potent anti-hyperglycemic activity than the standard drug gliclazide. The compound 2b was also tested for its hypoglycemic effect in fasted normal rats. It also showed significant hypoglycemic effect (but less than that of gliclazide). Con... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5643325 Tue, 24 Jan 2012 06:47:50 +0100 5643325 http://www.medworm.com/index.php?rid=5643324&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fd8611p377p2173v5%2F Abstract  Imidazole is incorporated into many important biological molecules. The major revolution in the field of imidazole derivatives with antiepileptic properties came with the synthesis of Denzimol and Nafimidone, which leads in its effectiveness among other molecules. The pharmacophore and substitution necessary to elevate the pharmacological effect of these derivatives in curing epilepsy are presented in this review, which can serve the medicinal chemist working on epileptic research to focus on this untouched class of molecules and enlarge its category and synthesize more active and potent anticonvulsant agents. Content Type Journal ArticleCategory Review ArticlePages 1-11DOI 10.1007/s00044-012-9972-6Authors Rahul Mishra, Department of Pharmaceutical Science, B... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5643324 Tue, 24 Jan 2012 06:47:50 +0100 5643324 http://www.medworm.com/index.php?rid=5643323&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F5m68153826008937%2F Abstract  Multi-drug resistance capacity for Mycobacterium leprae demands the profound need for developing new multi-targeted anti-leprosy drugs. Mur ligases (MurC, MurD, MurE, and MurF) involved in biosynthesis of bacterial cell wall peptidoglycan are the best known and validated targets for antibacterial therapy. Transition-state analogs, such as phosphonates, phosphinates, and sulfonamides have good inhibitory activity toward any one or two of these Mur ligases. With an objective of designing a better inhibitor targeting all of these four Mur ligases, we developed phenylsulfonamido-3-morpholinopropan-2-yl dihydrogen phosphate derivatives as multi-targeted small molecule inhibitors for Mur ligases and evaluated using virtual screening studies. The results suggested the 1-(... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5643323 Tue, 24 Jan 2012 06:47:50 +0100 5643323 http://www.medworm.com/index.php?rid=5643326&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fllx68477v20441g7%2F Abstract  The resurgence of tuberculosis and emergence of multidrug resistant isolates has focused attention on the need for an improved understanding of molecular aspects of the disease, and for elucidation of the factors responsible for drug action and resistance. Isoniazid is the frontline drug employed in the treatment of tuberculosis. Recent research has probed the mechanism of action of isoniazid (INH), a key drug in the chemotherapy of tuberculosis and also the anti-mycobacterial potential of derivatives of isoniazid has been evaluated. We have made an attempt to compile an account of various derivatives of isoniazid reported for their diverse biological activities like anti-mycobacterial, -bacterial, -fungal and -viral activities. Content Type Journal ArticleCat... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5643326 Tue, 24 Jan 2012 06:47:49 +0100 5643326 http://www.medworm.com/index.php?rid=5616438&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fp037w352135022uj%2F Abstract  A series of 1,3-diaryl-2-propen-1-ones was synthesized by both the conventional and microwave irradiation methods. It was observed that a microwave-assisted method was a convenient, rapid, and high yielding method for the synthesis of 1,3-diaryl-2-propen-1-ones as compared to the conventional method. In vivo acute toxicity studies and analgesic and anti-inflammatory activities of these compounds were also evaluated. The analgesic activity was evaluated using acetic acid-induced writhing method in mice and aspirin as the standard. The anti-inflammatory activity was evaluated using carrageenan-induced rat paw edema method and indomethacin as the standard. The quantitative structure–activity relationships (QSAR) studies were carried out by correlating, individually,... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5616438 Wed, 18 Jan 2012 06:49:45 +0100 5616438 http://www.medworm.com/index.php?rid=5616437&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F0w20223401327210%2F In this study, we have synthesized 5-(nitro/chloro)-2-styryl-benzimidazoles and evaluated for in vitro anti-microbial activity with different strain like anti-bacterial activity against Staphylococcus aureus, Escherichia coli, and anti-fungal activity against Candida albicans were carried out. Compounds 2, 4, 7, 8 showed higher activity against S. aureus, compounds 2, 8, 9, 10 showed higher activity against E. coli and Compounds 2, 7, 9, 8 showed higher activity against C. albicans. Content Type Journal ArticleCategory Original ResearchPages 1-5DOI 10.1007/s00044-012-9976-2Authors Love Kumar Soni, Pharmaceutical & Medicinal Chemistry Research Lab., School of Pharmacy, Devi Ahilya University, Takshashila Campus, Ring Road, Indore, 452017 Madhya Pradesh, IndiaTamanna Narsinghani, Pha... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5616437 Wed, 18 Jan 2012 06:49:45 +0100 5616437 http://www.medworm.com/index.php?rid=5616440&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fn77n17168n51t160%2F Abstract  The rise in clinical significance of multi drug-resistant bacterial pathogens has directed us to synthesize a novel series of isatin derivatives and characterize them by IR, NMR, mass spectral, and elemental analysis. Compounds were evaluated for their preliminary in vitro antibacterial activity against Gram-positive (Staphylococcus aureus, Staphylococcus epidermis, Micrococcus luteus, Bacillus cereus) bacteria and were screened for antitubercular activity against Mycobacterium tuberculosis H37Rv strain by microplate alamar blue assay (MABA) method. Some synthesized compounds showed very good antibacterial and antitubercular activities. Content Type Journal ArticleCategory Original ResearchPages 1-6DOI 10.1007/s00044-012-9971-7Authors K. Murali... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5616440 Wed, 18 Jan 2012 06:49:43 +0100 5616440 http://www.medworm.com/index.php?rid=5616439&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fx21265w230587055%2F Abstract  EtOAc and MeOH different extracts of Pimpinella candolleana Wight et Arn. have shown the α-glucosidase inhibitory and antioxidant activities when they were assayed in vitro. Chemical constituents of both extracts were isolated by column chromatography, and identified by MS and NMR spectroscopic data. Nine compounds were isolated, including 3 sterols, 2 flavones, 1 triterpene, 1 glucoside, 1 phenol derivatives, and 1 other compound. Their structures were identified as ursolic acid (1), luteolin (2), urea (3), stigmasta-5,22-dien-3-ol acetate (4), erythrol (5), isovitexin (6), 1-(4-hydroxyphenyl)-1,2-ethanediol (7), daucosterol (8), and β-sitosterol (9). Compound 1 (IC50 = 4.42 μg ml−1), 2 (IC50 = 5.96 μg ml−1), 4 (IC50&n... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5616439 Wed, 18 Jan 2012 06:49:43 +0100 5616439 http://www.medworm.com/index.php?rid=5616441&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fn12u1nr171202073%2F Abstract  A series of 4-amino-3-hydroxy-naphthalene-1-sulfonic acid derivatives (1–18) was synthesized and tested in vitro for its anti-microbial potential. The results of anti-microbial studies indicated that derivatives having 3,4,5 trimethoxy (6) and 2,4 dichloro (17) groups on benzylidene amino portion were found to be most effective ones. The mt-QSAR model for anti-microbial activity revealed the importance of topological parameter, valence zero-order molecular connectivity index (0χv) in describing the anti-microbial activity of synthesized 4-amino-3-hydroxy-naphthalene-1-sulfonic acid derivatives. Content Type Journal ArticleCategory Original ResearchPages 1-10DOI 10.1007/s00044-011-9954-0Authors Rajesh Kumar, Faculty of Pharmaceutical Sciences, Maharshi Dayana... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5616441 Tue, 17 Jan 2012 07:09:27 +0100 5616441 http://www.medworm.com/index.php?rid=5603198&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F086514243x622727%2F Abstract  Synthesis, crystal structures and biological activities for the new chlorobridged mixed valence CuI/CuII coordination polymer [CuIIcyclam][CuICl3] 1 and [H4cyclam][Cu2ICl6] 2 are reported. Compound 1 crystallizes in the orthorhombic system, space group Pccn, with a = 22.677(4), b = 22.827(4), c = 12.506(2) Å, V = 6473.75(19) Å3, Z = 8. Its crystal structure consists of one-dimensional polymer CuIIcyclam–Cl–CuI–Cl–CuIIcyclam. The coordination geometry of the CuII ion is an elongated octahedron while CuI ion is surrounded by three chlorine atoms in a trigonal geometry. The tetraazacyclotetradecane adopts the trans-III configuration. Compound 2 is monoclinic (P21/n), with a = 10.3675(5) Å, b =... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5603198 Thu, 12 Jan 2012 16:49:13 +0100 5603198 http://www.medworm.com/index.php?rid=5591940&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F68276386j5530h54%2F Abstract  Anti-malarial proguanil (1) and phenoxypropoxy biguanide derivatives (2–9) are prodrugs. Their efficacy is directly proportional to the quantity of active triazine metabolites produced from these prodrugs. Detailed molecular docking analyses for all nine drug candidates in the active site of CYP3A4, CYP2D6, and CYP2C19 were carried out under the influence of induced-fit effect of ligand during molecular dynamic simulations. We have developed a strategy based on docking pose clusters to quantify the production of active metabolites for this class of molecules. For all drugs, site of metabolism based clusters of docking poses were prepared in both phases of the molecular docking analyses and correlated with the percentage of metabolites generated in the pooled huma... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5591940 Tue, 10 Jan 2012 17:01:41 +0100 5591940 http://www.medworm.com/index.php?rid=5591941&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fm64620q86060u51t%2F Abstract  The three component Grieco condensation of indazoles, aliphatic/aromatic aldehydes, and electron rich olefins in the presence of GdCl3 resulted in a novel pyrimidine fused indazoles in single pot under mild conditions. Representative examples were screened for in vitro anti-cancer activity and some of the compounds exhibited promising cytotoxic activity against U937 cell lines in comparable with standard drug etoposide. The data were further compared with structure-based investigations using docking studies with the crystal structure of Rho-kinase (2F2U) protein. The fitness values estimated by genetic algorithm were found to have a good correlation with the experimental inhibitory potencies. Content Type Journal ArticleCategory Original ResearchPages 1-13DOI ... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5591941 Tue, 10 Jan 2012 17:01:40 +0100 5591941 http://www.medworm.com/index.php?rid=5591942&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fjp370u511q5542n6%2F Abstract  A series of novel thiourea analogs of 3,4-dihydropyrimidin-2(1-H)-one derivatives of biological interest were prepared by sequential Bigineli’s reaction, reduction followed by reaction of resulting amine with different arylisothiocynates. All the synthesized compounds (1–23) were screened against the proinflammatory cytokines (TNF-α and IL-6) and antimicrobial activity (antibacterial and antifungal). Biological data revealed that among all the compounds screened, compounds 6, 10, 11, 12, 13, 14, 17, and 20 found to have promising anti-inflammatory activity (42–78% TNF-α and 54–96% IL-6 inhibitory activity at 10 μM). Remarkably, compounds 3, 4, 5, 6, 15, 22, and 23 revealed promising antimicrobial activity at minimum inhibitory concentration of 10–40... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5591942 Mon, 09 Jan 2012 19:38:27 +0100 5591942 http://www.medworm.com/index.php?rid=5591943&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fx13411t73j282641%2F Abstract  HIV-1 integrase (IN) is an important drug target over the years with diverse therapeutic potential with the objective of designing new chemical entities with enhanced inhibitory potencies against HIV-1 IN. We performed molecular docking, quantum polarized ligand docking (QPLD), ADME screening, and PASS biological activity prediction studies on Raltegravir, Elvitegravir, and newly searched compounds of Cambridge crystallographic database. Best docking and QPLD scores of known and unknown searched compounds were compared using docking score, docking energy, and emodel energy. Moreover, correlation between docking score, docking energy with emodel energy yielded a statistically significant correlation coefficient. The searched compounds were also evaluated with ADME ... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5591943 Sat, 07 Jan 2012 16:56:44 +0100 5591943 http://www.medworm.com/index.php?rid=5576250&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Ff40k364535h72423%2F Abstract  Several analogues of 7-O- and 4′-O-substituted isoxanthohumol and 8-prenylnaringenin, the strongest known phytoestrogen and potential anticancerogenic agent, were synthesized. Acyl, alkyl, and allyl derivatives of isoxanthohumol underwent the demethylation process using MgI2 × 2Et2O in anhydrous THF with the yields of 61–89%. Some of the compounds approached the international criteria of antiproliferative activity (4 μg/ml) for synthetic agents against the human cancer cell lines. Content Type Journal ArticleCategory Original ResearchPages 1-9DOI 10.1007/s00044-011-9967-8Authors Mirosław Anioł, Department of Chemistry, Wrocław University of Environmental and Life Sciences, Norwida 25, 50-375 Wrocław, PolandAnna Świderska, Department of... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5576250 Fri, 06 Jan 2012 16:46:16 +0100 5576250 http://www.medworm.com/index.php?rid=5576249&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fp226806843526184%2F Abstract  A set of aminosubstituted neocryptolepine (5-methyl-5H-indolo[2,3-b]quinoline) derivatives has been synthesized and evaluated for in vitro activity against Schistosoma mansoni adult worms. Six out of 18 derivatives showed significant antischistosomal activity with 100% worm mortality at a concentration of 5 μg/ml after 5 days. The most effective compound is neocryptolepine 10d having IC50 and IC90, 2.70 and 3.95 μM/ml for Egyptian Schistosoma strains, respectively. It is clear from the results that introducing N-substituted side-chains into the indoloquinoline core structure significantly increased the antischistosomicidal activity. The structure–activity relationships of this series of compounds are discussed. Graphical Abstract &nbsp... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5576249 Fri, 06 Jan 2012 16:46:16 +0100 5576249 http://www.medworm.com/index.php?rid=5567931&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fa25738620px67146%2F Abstract  Microsomal epoxide hydrolase (mEH) is a liver enzyme involved in hepatic and extrahepatic metabolism of xenobiotics, namely, the hydrolysis of epoxides and arene oxides to the corresponding diols. In some cases, the action of mEH activates xenobiotics, such as 7,12-dimethylbenz[a]anthracene, potentiating their ability to induce mammary, ovarian, skin, and other types of cancer according to Rajapaksa et al. (Toxicol. Sci 96:327–334, 2006). Similarly, mEH polymorphisms have been linked to several types of cancer as stated by Benhamou et al. (Cancer Res. 58:5291–5293, 1998), and also to emphysema according to Smith and Harrison (Lancet 350:630–633, 1997). mEH inhibitors would provide insight into the multiple roles of this enzyme and potentially have clinical rele... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5567931 Wed, 04 Jan 2012 17:02:24 +0100 5567931 http://www.medworm.com/index.php?rid=5567932&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fy03v0g8611425454%2F Abstract  A series of (E) 4H-pyrano[3,2-h]quinoline-3-carbonitrile (5a–f) and (E) ethyl 4H-pyrano[3,2-h]quinoline-3-carboxylate (6a–f) derivatives were synthesized by interaction of (E) 2-(4-chloro/bromo/fluorostyryl)-8-hydroxyquinoline (3a–c) with α-cyano-p-chloro/bromocinnamonitriles (4a,b) and ethyl α-cyano-p-chloro/bromocinnamates (4c,d), respectively. Structures of these compounds were established on the basis of IR, 1H NMR, 13C NMR, 13C NMR–DEPT, 13C NMR–APT, and MS data. The new compounds were evaluated for antitumor activities against three different human tumor cell lines MCF-7, HCT, and HepG-2. The results of antitumor evaluation revealed that compounds 5a,d and 6a,c,d inhibited the growth of cancer cells compared to Vinblastine. The structure–activity re... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5567932 Wed, 04 Jan 2012 06:59:05 +0100 5567932 http://www.medworm.com/index.php?rid=5567934&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fll5hl832k7r4090q%2F Abstract  Coupling of various phenyl pyrazolone derivatives with diazonium salt of 1H-benzo[g]pyrazolo[3,4-b]quinoline-3-ylamine gave a series of heterocyclic azo compounds. All the synthesized azo compounds have been characterized by their percentage yield, elemental, and spectral analyses. These new compounds were evaluated for their in vitro antibacterial activity against Staphylococcus aureus, Bacillus subtilis, Escherichia coli, and Pseudomonas aeruginosa. Furthermore, the synthesized compounds were tested for in vitro antituberculosis activity against Mycobacterium tuberculosis. Streptomycin, Isoniazid, Rifampicin, and Ethambutol were used as standards in this investigation. Content Type Journal ArticleCategory Original ResearchPages 1-9DOI 10.1007/s00044-011-9942-4... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5567934 Mon, 02 Jan 2012 16:54:38 +0100 5567934 http://www.medworm.com/index.php?rid=5567933&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fv277477801j4038l%2F Abstract  5,7-Dichloro-1,3-benzoxazole-2-thiol and its novel derivatives that have previously been synthesized in our laboratory are screened for in vitro antibacterial activity. In correlation to antibacterial activity, compounds are subjected to molecular docking studies with GlcN-6-P synthase. All the compounds showed good antibacterial activity. Among them, compounds 1, 4, and 5a emerged as good antibacterial agents without showing any resistance. In molecular docking studies all the molecules showed good inhibition with GlcN-6-P synthase. So, it can be predicted as inhibition of GlcN-6-P synthase may be responsible for antibacterial activity. Content Type Journal ArticleCategory Original ResearchPages 1-7DOI 10.1007/s00044-011-9963-zAuthors Rangadhol Vinayak-rao S... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5567933 Mon, 02 Jan 2012 16:54:38 +0100 5567933 http://www.medworm.com/index.php?rid=5567935&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fu37774t837w06476%2F Abstract  A series of 2-(4-cyano-3-trifluoromethylphenyl amino)-4-(4-quinazolinyloxy)-6-piperazinyl(piperidinyl)-s-triazines have been synthesized in this study by a simple and efficient synthetic protocol. The synthetic route to final piperazinyl s-triazines involved two nucleophilic substitution reactions of 4-amino-2-trifluoromethyl-benzonitrile and 4-hydroxyquinazoline with 2,4,6-trichloro-1,3,5-triazine resulting in 2,4-disubstituted-6-chloro-1,3,5-triazine derivative to introduce the piperazinyl or piperidinyl functionality. The structures of the compounds were elucidated with the aid of IR, 1H NMR, 13C NMR, 19F NMR spectroscopy, and elemental analysis. The antimicrobial activity of the compounds was tested against eight bacteria (Staphylococcus aureus MTCC 96, Bacillus... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5567935 Mon, 02 Jan 2012 16:54:37 +0100 5567935 http://www.medworm.com/index.php?rid=5567936&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fj77402763m2187up%2F Abstract  In the present study, the antiasthmatic activity of a 7,8,9,10-tetrahydro azepino[2,1-b]-quinazolin-12(6H)-one (TAZQ) and established mucolytic agent ambroxol, alone and in combination, in ovalbumin induced asthma in guinea pigs. TAZQ turned to be a potent bronchodilator when studied in in vitro tracheal strip preparation of sensitized guinea pigs against antigen induced contraction accompanied with notable antioxidant and anti-inflammatory activity at both 10 and 20 mg/kg doses. Ambroxol at the dose of 50 and 100 mg/kg found to possess potent antioxidant activity but devoid of any effect when studied for in vitro bronchodilatory or antigen induced bronchial hyper-responsiveness. The title compound in low dose combination with ambroxol significantly inhi... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5567936 Sat, 31 Dec 2011 16:47:31 +0100 5567936 http://www.medworm.com/index.php?rid=5567937&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fa58n8gpg704v060u%2F Abstract  By combination of the structural features of flavones and isoflavones, a series of 3-benzylideneflavanone derivatives 12a–m with promising ClogP value were designed, synthesized and evaluated for their in vitro cytotoxic activities against four human tumor cell lines. Compound 12b exhibited the most potent activity (IC50 value against HL60, A549, HCT116 and KB cells are 0.81, 4.32, 1.56 and 1.76 μM, respectively). The structure–activity relationships are analyzed in detail, indicating that hydroxyl groups on B and D rings of 3-benzylideneflavanones remarkably improve the cytotoxic activities. Flow cytometric and western blotting analysis demonstrated that compound 12b induced significantly apoptosis in HL60 cells, and the caspase cascade was ultimately resp... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5567937 Sat, 31 Dec 2011 16:47:30 +0100 5567937 http://www.medworm.com/index.php?rid=5567939&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fgp420xl51700g277%2F Abstract  The newly synthesized Mannich bases were characterized in this study on the basis of UV–Vis, FT-IR, 1H NMR, 13C NMR, Mass spectroscopic techniques, and micro elemental analyses. The single crystal X-ray diffraction analysis on one of the Mannich bases 1-[anilino(phenyl)methyl] pyrrolidine-2,5-dione was also carried out. This compound crystallizes in the monoclinic system, space group P21/c, with a = 15.4871(8) Å, b = 6.6637 (3) Å, c = 20.1544 (11) Å, β = 109.403(2)°, Z = 4 and V = 1961.83 (17) Å3. Antibacterial study has been carried out on all the Mannich bases against a panel of antibacterial (Escherichia coli, Salmonella typhi, and Bacillus subtilis) and antifungal agents (Asperg... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5567939 Fri, 30 Dec 2011 16:50:08 +0100 5567939 http://www.medworm.com/index.php?rid=5567938&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F956t0007rr2811w3%2F Abstract  A new series of 4-substituted 3-methyl-1,5-diphenyl-1H-pyrazoles 4–11 has been synthesized and evaluated for its in vitro antiviral activity and cytotoxicity against herpes simplex virus type-1 grown on Vero African green monkey kidney cells through plaque-reduction assay method using acyclovir as a positive control. The synthesis was achieved through Claisen-Schmidt condensation reaction of 3-methyl-1,5-diphenyl-1H-pyrazole-4-carbaldehyde (3) with acetophenone derivatives to give various enones 4a–f which are considered an important synthon for the construction of different heterocyclic rings as isoxazoline, pyrazoline, pyrimidine, pyridine, and fused pyridine via several synthetic routes. Biological evaluation of the prepared compounds showed that 3-(4-methylp... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5567938 Fri, 30 Dec 2011 16:50:08 +0100 5567938 http://www.medworm.com/index.php?rid=5567940&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fg6251k05137110jp%2F Abstract  Sb(III) complexes of 3-aminoquinoxaline-2-carbonitrile 1,4-dioxides were prepared in order to improve the anti-Trypanosoma cruzi activity of these ligands. The in vitro evaluations demonstrated that in general upon metal complexation the activity of the 3-aminoquinoxaline ligands increased. Except for one compound, with solubility problems, coordination to antimony resulted in 2- to 12-fold increase of the trypanosomicidal activity. In addition, these complexes were equally or more active against T. cruzi than other metallic complexes with the same ligands previously evaluated in the same conditions. Computational study was performed in order to explain the effect of these metals in the anti-T. cruzi activity of 3-aminoquinoxaline-2-carbonitrile 1,4-dioxide ligands.... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5567940 Fri, 30 Dec 2011 06:51:06 +0100 5567940 http://www.medworm.com/index.php?rid=5567942&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fp5mk248588573260%2F Abstract  In our study, we have described chemical feature-based 3D QSAR pharmacophore models with help of known inhibitors of Factor Xa (FXa). The best model, Hypo1, has validated by various techniques to prove its robustness and statistical significance. The well validated Hypo1 was used as 3D query in the virtual screening to retrieve potential leads for FXa inhibition. The hit molecules were sort out by applying drug-like filters and molecular docking. Bayesian model was developed using training set compounds which provides molecular feature that are favoring or not favoring for FXa inhibition. Content Type Journal ArticleCategory Original ResearchPages 1-17DOI 10.1007/s00044-011-9936-2Authors Meganathan Chandrasekaran, Division of Applied Life Science (BK21 Progra... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5567942 Fri, 30 Dec 2011 06:51:05 +0100 5567942 http://www.medworm.com/index.php?rid=5567941&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fy17k05641tk44303%2F Abstract  A series of 6-amino-substituted pyridine-2-(1H)-ones have been prepared by coupling of substituted 6-(pyrrolidin-1-yl)-2(1H)-pyridinones with aryl diazonium chlorides. The overall sequence provides a simple and efficient route to prepare 6-amino-substituted pyridine-2-(1H)-ones in the form of two isomers, which were separated using column chromatography. The structure of all the compounds has been assigned unambiguously on the basis of elemental analysis, IR and NMR spectral data and has been evaluated for antibacterial and antifungal activities. The active compounds were evaluated for antitubercular activity and compared with standard drug rifampicin. Content Type Journal ArticleCategory Original ResearchPages 1-12DOI 10.1007/s00044-011-9952-2Authors Navin B... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5567941 Fri, 30 Dec 2011 06:51:05 +0100 5567941 http://www.medworm.com/index.php?rid=5567943&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fn16437103543065l%2F This study suggests that the affinity is closely related to the interactions of the oxygen groups, whilst the difference in efficacy may be due to the lack of the Asp113 interaction. The correlation of the calculated ligand efficiency and E max revealed that there was a direct strong relation between the efficiency and in vitro efficacy. Finally, it was concluded that HAP can be categorized as a β2-AR agonist; further pharmacokinetic and toxicological studies are required to complete its profile. Graphical Abstract  Left, Illustration of the lowest energy conformation of HAP (green) and the standard terbutaline (orange) docked into the active site of a customized rat β2-adrenoceptor, whilst right figure demonstrate dose–response curves of the relaxing activity of... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5567943 Fri, 30 Dec 2011 06:51:04 +0100 5567943 http://www.medworm.com/index.php?rid=5556573&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fw4u4w1720050818r%2F Abstract  A series of bichalcophene monoamidines 4a–f were synthesized from the corresponding mononitriles 3a–f via a direct reaction with LiN(TMS)2 followed by deprotection with ethanolic HCl (gas). Bichalcophene mononitriles 3a–f were synthesized via palladium-catalyzed coupling reactions. Thus, a Stille coupling reaction was performed to prepare 6-[5-(thiophen-2-yl)furan-2-yl]nicotinonitrile (3e), when 6-(5-bromofuran-2-yl)nicotinonitrile was allowed to react with 2-n-tributyltin thiophene. The tested bichalcophenes showed a wide range of DNA and protein degradation effect as judged from agarose gel and SDS-PAGE, respectively. Bichalcophenes 3a–f and 4a–f have broad-spectrum antibacterial efficacy being highly active against both Gram-positive (Bacillus subtilis an... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5556573 Wed, 28 Dec 2011 16:47:18 +0100 5556573 http://www.medworm.com/index.php?rid=5556574&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F4711114358035k08%2F Abstract  Phytic acid (myo-inositol hexaphosphoric acid) is present substantially in plant kingdom, and has striking anticancer effects. Phytic acid can be hydrolyzed into lower inositol phosphates by partial dephosphorylation during food processing. Inositol 1,2,6-triphosphate [Ins(1,2,6)P3] is the derivative of phytic acid prepared by partial hydrolysis of phytic acid with Aspergillus terreus phytase. The effects of Ins(1,2,6)P3 on the cell proliferation rate, cell cycle distribution, immunohistochemical staining of proliferating cell nuclear antigen (PCNA), and α-fetal protein (AFT) in human liver cancer SMMC-7721 cell line were investigated. Ins(1,2,6)P3 inhibited cell proliferation of SMMC-7721 cells in a dose and time-dependent manner. Ins(1,2,6)P3 induced an accumulati... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5556574 Tue, 27 Dec 2011 17:02:57 +0100 5556574 http://www.medworm.com/index.php?rid=5556575&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fu3m6842335577828%2F Abstract  Tea (Camellia sinensis, Theaceae) is the second most consumed beverages in the world, next to water in terms of worldwide popularity. The chemical components of green tea chiefly include polyphenols, caffeine, and amino acids. Green tea is rich in catechins, of which (−)-epigallocatechin-3-gallate is the most abundant. As described in literature, green tea and its polyphenols are beneficial in curing a wide variety of diseases like cancer, diabetes, cardiovascular disease, obesity, etc. It also has antimicrobial activity, protects from solar radiations, and possesses neuroprotective properties. The current review article focuses on pharmacological profile associated with Green tea and its polyphenols. We hope that this review will expose areas for further study a... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5556575 Tue, 27 Dec 2011 17:02:56 +0100 5556575 http://www.medworm.com/index.php?rid=5556576&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fw22h742608325p11%2F Abstract  The intense research on small molecule inhibitors of Human immunodeficiency virus (HIV)-protease (PR) has produced a diverse class of chemical scaffolds which includes clinically available HIV PR inhibitors (PRI). Till now, these inhibitors are insignificant for targeting proteolytic activity and few drug molecules on alterations can enhance the inhibition of PR enzyme. Here, we developed a method for screening of new hits from Cambridge structural database, based on binding mode of indinavir interaction participating atoms. Knowledge-based ligand screening technique approximately informs that new hits are also having same binding mode-like indinavir interaction patterns. Considering the importance of ligand fitting in binding pocket, we developed induced-fit mode... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5556576 Mon, 26 Dec 2011 16:46:40 +0100 5556576 http://www.medworm.com/index.php?rid=5549328&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fv142780032757165%2F Abstract  Abacavir (ABC) is clinically associated with hypersensitivity reactions, risk for cardiovascular disease, etc. A possible way to minimize side effects is by modifying chemical structure. Three esters of ABC containing amino acid (glycine) and dipeptide esters (glycyl-glycine) were synthesized and their activity on HIV-1 III B replication in MT-4 cells was evaluated. One of the newly synthesized esters—Gly-ABC—demonstrates low-cytotoxicity and high-anti-HIV-1 activity in MT-4 cells, as well as low-mitochondrial toxicity and high-genetic barrier to resistance. Content Type Journal ArticleCategory Original ResearchPages 1-7DOI 10.1007/s00044-011-9956-yAuthors Ivanka Stankova, Department of Chemistry, South-West University “Neofit Rilski”, Blagoevgrad, Bu... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5549328 Sat, 24 Dec 2011 16:42:25 +0100 5549328 http://www.medworm.com/index.php?rid=5549329&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fu6147134qr056350%2F Abstract  A series of new 7H-7-alkoxy-3-alkyl/phenyl-6-aryl-s-triazolo[3,4-b][1,3,4]thiadiazines (3, 4) were synthesized by the reaction of various α,α-dibromoacetophenones 1 with 3-alkyl/phenyl-4-amino-5-mercapto-s-triazoles (2) in different alcoholic solvents in good yields. All the newly synthesized compounds (3, 4) were screened for their in vitro antibacterial and antifungal activity. Biological activities of these compounds were compared with those of the commercially available antibiotic, ciprofloxacin and antifungal agent, amphotericin-B. The title compounds showed good activity against the Gram-positive bacteria, Staphylococcus aureus and Bacillus subtilis and the yeasts, Saccharomyces cerevisiae and Candida albicans. Content Type Journal ArticleCategory Origina... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5549329 Sat, 24 Dec 2011 16:42:24 +0100 5549329 http://www.medworm.com/index.php?rid=5549330&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F3851162q84k69r32%2F Abstract  An isocratic reversed phase high-performance liquid chromatographic method has been developed for the simultaneous determination of lisinopril and H2 antagonists (cimetidine, ranitidine, and famotidine) in bulk, dosage formulations, and human serum at 225 nm. Chromatographic separation was achieved using mobile phase, acetonitrile:water (70:25 v/v) adjusted to pH 3.0 via phosphoric acid 85% with flow rate of 1 ml/min at room temperature. Calibration curves were linear over range of 0.7–12.50 μg/ml for H2 antagonists and 2.5–100 μg/ml for lisinopril with a correlation coefficient ± 0.999. Limit of detection and limit of quantitation were in the ranges of 0.07–10.4 ng/ml. Intra- and inter-day precision and accuracy results w... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5549330 Sat, 24 Dec 2011 16:42:23 +0100 5549330 http://www.medworm.com/index.php?rid=5541970&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F2525141p4835421w%2F Abstract  A series of metal complexes of the type ML·2H2O [M = Co(II), Ni(II), and Cu(II)] have been synthesized with newly synthesized Schiff bases derived from 1,8-diaminonaphthalene and 8-formyl-7-hydroxy-4-methylcoumarin/8-acetyl-7-hydroxy-4-methylcoumarin. The chelation of the metal complexes has been proposed in the light of analytical, spectral (IR, NMR, UV–Vis, ESR, and FAB-mass), magnetic, and thermal studies. The redox behavior of the complexes was investigated by electrochemical method using cyclic voltammetry. The Schiff bases and their complexes have been screened for their antibacterial (Escherichia coli, Staphylococcus aureus, Pseudomonas aeruginosa, and Salmonella typhi) and antifungal activities (Aspergillus niger, Aspergillus flavus, and Cladosp... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5541970 Fri, 23 Dec 2011 16:52:25 +0100 5541970 http://www.medworm.com/index.php?rid=5541969&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Ftt47l00u52620671%2F This study was carried out to design and synthesize 10-O-nicotinate ginkgolide B (PGB) as a new prodrug of ginkgolide B (GB). The lipophilicity of PGB and GB was evaluated through the partition coefficient in 1-octanol–water system. The concentrations of PGB and GB in plasma and brain tissue were determined by liquid chromatography tandem mass spectrometry (LC–MS/MS) after intravenous administration of PGB or GB. After calculation and analysis, the drug-targeting index (DTI) of PGB was 7.45 and area under curve (AUC) value of GB decomposed from PGB was 2.45-fold higher than that of GB (parent drug) in brain. All the above results indicated that the brain targeting of GB was improved by prodrug strategy. Content Type Journal ArticleCategory Original ResearchPages 1-9DOI 10.100... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5541969 Fri, 23 Dec 2011 16:52:25 +0100 5541969 http://www.medworm.com/index.php?rid=5541972&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F1804868464238331%2F Abstract  From the recent studies, 3,5-dibenzoyl-1,4-dihydropyridone (DHP) derivatives, DP-7, has emerged as a potent multidrug reverting agent that inhibits efflux of drug from cell wall by inhibiting the activity of ATP Binding Cassettes. On the other hand, dihydropyrimidine (DHPM) derivative, (aza analogue) namely, monastrol inhibits the protein Eg5, which is responsible for the separation of daughter chromosomes during cell division and controls the growth of the tumor cells. In the present report, we have reported the hybridize molecules of these two potent molecules to check the dual action in cancer chemotherapy by synthesizing various thio and oxo analogues, bearing substituted aryl groups at 4th position of the DHPM ring. The newly synthesized molecules were screen... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5541972 Fri, 23 Dec 2011 16:52:24 +0100 5541972 http://www.medworm.com/index.php?rid=5541971&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F922626615h32310w%2F This study provides the factors of affecting the binding of drugs in the G-quadruplex groove and is of significance for drug design based on the structure of G-quadruplex groove. Content Type Journal ArticleCategory Original ResearchPages 1-7DOI 10.1007/s00044-011-9927-3Authors Jinlian Li, Department of Chemistry, College of Science, Yanbian University, Yanji, 133002 People’s Republic of ChinaJia Fu, Department of Chemistry, College of Pharmaceutical Sciences, Jiamusi University, Jiamusi, 154007 People’s Republic of ChinaJianping Wang, Institute of Functional Material Chemistry, Department of Chemistry, Northeast Normal University, Changchun, 130024 People’s Republic of ChinaDonghua Hu, Institute of Functional Material Chemistry, Department of Chemistry, Northeast Normal Univ... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5541971 Fri, 23 Dec 2011 16:52:24 +0100 5541971 http://www.medworm.com/index.php?rid=5541973&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fl28k614t81u16003%2F In this study, a series of novel aryl-naphthalene lignans were synthesized and the inhibitory effects of all compounds on cancer cells growth were investigated. The target compounds were structurally characterized by 1H NMR, 13C NMR, IR and HRMS. The IC50 of these compounds on three tumor cell lines A549, SW480, KB and one normal cell line HEK293 were obtained by MTT assay. Compound 6′i, which has a para-methyl on the D-ring indicated potent anti-tumor activities and the IC50 of this compound on KB cells was 18.9 μM. But this compound showed low cytotoxicity on normal cell line HEK293. Furthermore, fluorescent double staining indicated that compound 6′i induced apoptosis of KB cells. Western blot analysis showed Compound 6′i increased the expression of cleaved-caspase-3 and... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5541973 Thu, 22 Dec 2011 16:38:09 +0100 5541973 http://www.medworm.com/index.php?rid=5541975&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fm73v104275145005%2F This study revealed that an enhanced inhibitory activity of polyphenols is mainly conditioned by stabilization of molecule due to intramolecular electron and charge delocalization. Content Type Journal ArticleCategory Original ResearchPages 1-10DOI 10.1007/s00044-011-9938-0Authors Vesna Rastija, Department of Chemistry, Faculty of Agriculture, Josip Juraj Strossmayer University of Osijek, Kralja Petra Svačića 1d, 31000 Osijek, CroatiaDrago Bešlo, Department of Chemistry, Faculty of Agriculture, Josip Juraj Strossmayer University of Osijek, Kralja Petra Svačića 1d, 31000 Osijek, CroatiaSonja Nikolić, The Rugjer Boskovic Institute, P.O. Box 180, 10002 Zagreb, Croatia Journal Medicinal Chemistry ResearchOnline ISSN 1554-8120Print ISSN 1054-2523 (Source: Medicinal Chemistr... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5541975 Wed, 21 Dec 2011 20:08:09 +0100 5541975 http://www.medworm.com/index.php?rid=5541974&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fmq21l527810wt370%2F Abstract  A series of novel Biginelli pyrimidines was prepared and evaluated for antimicrobial activity. Weak inhibitory activity (MIC = 128 μg/ml) was observed from 3b and 8b, against S. aureus and P. aeruginosa, respectively. Moderate antifungal agents: 4c, 4d, 4e with MIC = 32 μg/ml, 3d, 7b, and 8b with MIC = 64 μg/ml against C. albicans were determined. 4c, 4d, 4e, and 7b proved to be moderate antifungals against A. niger with MIC = 64 μg/ml. Content Type Journal ArticleCategory Original ResearchPages 1-11DOI 10.1007/s00044-011-9931-7Authors Bita Sedaghati, Department of Medicinal Chemistry and Isfahan Pharmaceutical Research Center, School of Pharmacy and Pharmaceutical Sciences, Isfahan University of M... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5541974 Wed, 21 Dec 2011 20:08:09 +0100 5541974 http://www.medworm.com/index.php?rid=5541976&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fb3068v9417j6k668%2F Abstract  Some novel 2,4-diaryl-3-azabicyclo[3.3.1]nonan-9,5′-spiro-1′,2′,4′-triazolidine-3′-thiones 22–28 were synthesized and studied for their in vitro antibacterial and antifungal activities. Compounds 23, 24 and 26 exhibit potent antibacterial activity against tested S. aureus. Compounds 24 and 26 possess good activity against K. pneumoniae. Compound 24 is active against S. typhii and E. coli, whereas compounds 25 and 26 show excellent antibacterial activity against β-H. streptococcus. Compounds 23–26 with electron withdrawing functional groups at the para position of the phenyl rings at positions 2 and 4 of the bicyclic ring shows excellent antifungal activity against all the tested fungal strains. Graphical abstract   . Conten... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5541976 Tue, 20 Dec 2011 16:43:55 +0100 5541976 http://www.medworm.com/index.php?rid=5532350&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F44001gj51241g471%2F Abstract  Chemoselective microwave-assisted amidination was successfully developed to synthesize 1H-pyrazol-5-yl-N,N-dimethylformamidines and pyrazolyl-2-azadienes. All of the starting materials and resulting products were tested against NCI-H226, NPC-TW01, and Jurkat cancer cells to evaluate their antiproliferative activities. 1H-Pyrazol-5-yl-N,N-dimethylformamidines 2b, 2c, and 2d were most potent with IC50 values in low micromolar range. The formyl group at C-4 position and the grafted amidinyl group in the main core of pyrazolic molecule were necessary for the inhibitory activity. Graphical Abstract   Content Type Journal ArticleCategory Original ResearchPages 1-9DOI 10.1007/s00044-011-9872-1Authors Kau-Shan Wen, Graduate Institute of Pha... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5532350 Mon, 19 Dec 2011 16:51:11 +0100 5532350 http://www.medworm.com/index.php?rid=5532351&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fj1pt07281l2v8722%2F Abstract  A QSAR study has been performed on a series of aminopyrazolopyridine urea derivatives with potent VEGFR kinase inhibitory activity. Structural features responsible for the activity of the compounds were characterized by using physicochemical, topological, and electrotopological descriptors, calculated from the Molecular Design Suite software (V-life MDSTM 3.5). Correlations between the inhibitory activities (KDR and KDRcell) of aminopyrazolopyridine urea derivatives and the calculated descriptors were established through simulated annealing method. The best QSAR models generated from the study explain 89 and 88% of the variation in KDR and KDRcell inhibitory activities, respectively. Internal and external validation methods were used to evaluate the predictive capaci... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5532351 Mon, 19 Dec 2011 16:51:10 +0100 5532351 http://www.medworm.com/index.php?rid=5511569&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fr4w13570372181x6%2F Abstract  Quantitative relationship between structures of 6-nitroquinolone-3-carboxylic acids and their antimycobacterial activity was investigated by different chemometric methods namely multiple linear regression, sequential multiple linear regression, partial least square, and machine learning support vector machine. The obtained models were able to describe about 81–90% of the variance in the experimental activity of molecules in the training set. The accuracy and predictability of the proposed models were illustrated using various evaluation techniques like internal and external validation. The best quantitative structure–activity relationship model reveals that van der Waals volume and Sanderson electronegativity as the most influencing atomic properties in the st... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5511569 Tue, 13 Dec 2011 17:02:23 +0100 5511569 http://www.medworm.com/index.php?rid=5511570&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F8250335752885145%2F Abstract  A series of novel sulphadimidine derivatives has been synthesized via coupling of sulphadimidine diazonium salt with N-substituted anilines in acetic acid and subjected to evaluate their antihypertensive activity. All the synthesized compounds have similar effects and non-significantly different than the standard drug (Prazosin) and control groups. All newly synthesized dyes were characterized by elemental analyses and spectral data (IR, 1H-NMR, and MS). Graphical Abstract    Content Type Journal ArticleCategory Original ResearchPages 1-5DOI 10.1007/s00044-011-9935-3Authors Moustafa A. Gouda, Chemistry Department, Faculty of Science, Mansoura University, Mansoura, 35516 EgyptHatem E. Gafer, Textile Research Division, National Re... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5511570 Mon, 12 Dec 2011 17:13:54 +0100 5511570 http://www.medworm.com/index.php?rid=5500452&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F4432345839835500%2F Abstract  A new series of hydrazinecarboxamides (5a–n), bearing various methoxyphenyl and methoxyphenethyl groups, was synthesized by condensation of corresponding acid hydrazides (3a–f) with methoxyphenylisocyanates (4a–c). Dehydrocyclization of hydrazinecarboxamides (5a–n) yielded corresponding methoxyphenyl and methoxyphenethyl substituted triazoles (6a–l) by refluxing in 2 N aqueous sodium hydroxide solution. All the synthesized compounds were screened for their β-glucuronidase inhibition activity. Compounds 5a, 5e, 5h, and 5l exhibited an excellent β-glucuronidase inhibitory activity as compared to the standard inhibitor. Graphical Abstract  A new series of hydrazinecarboxamides and their 1,2,4-triazole derivatives has been reported. The ... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5500452 Sat, 10 Dec 2011 16:54:50 +0100 5500452 http://www.medworm.com/index.php?rid=5500454&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Ft12306052764318v%2F Abstract  A series of 4-(substituted benzylidene-amino)-1,5-dimethyl-2-phenyl-1,2-dihydropyrazol-3-ones (1–17) was synthesized and tested in vitro for its antimicrobial and anticancer potentials. The biological screening results indicated that compounds having m-chloro substituent on benzaldehyde portion showed antimicrobial potential, whereas compounds having chloro, methoxy, and hydroxyl groups showed anticancer potential. The quantitative structure activity relationship (QSAR) studies indicated the importance of topological parameter, valence first order molecular connectivity index in describing antifungal activity. The developed QSAR models, however, were statistically insignificant with reference to anticancer activity of the synthesized compounds. Content Type ... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5500454 Sat, 10 Dec 2011 16:54:48 +0100 5500454 http://www.medworm.com/index.php?rid=5500453&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F38073l71253h62k7%2F Abstract   Acinetobacter baumannii is an increasingly nosocomial pathogen throughout the world, and the occurrence of multidrug-resistant (MDR) species is increasing. The aim of this study is to present the antimicrobial effects of a newly synthesized imidazoacridine, 11-chloro-3-methyl-3H-imidazo(4,5-a)acridine (CMIA), against MDR clinical isolates of A. baumannii. Standard dilution tube-test assay was performed to determine the MBC of CMIA for 91 clinical isolates of highly antibiotic-resistant bacteria with 28 of A. baumannii in them. The MBCs of CMIA ranged from 2.0 to 10.9 mg/l for Acinetobacter isolates while it was more than 47.9 mg/l for other clinical strains. The findings demonstrate that CMIA is a potent and selective antimicrobial agent against clinical ... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5500453 Sat, 10 Dec 2011 16:54:48 +0100 5500453 http://www.medworm.com/index.php?rid=5500455&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fr5045n833g345276%2F Abstract  Due to a steadily increasing number of clinical isolates of microscopic fungi that show resistance to conventionally administered antimycotics, the specialists involved have constantly been searching for novel fungicidal agents among various classes of chemical compounds. The present study was aimed at synthesizing and assessing the activity of arginine-containing hemin derivatives against strains of Candida albicans and Cryptococcus neoformans insensitive to commonly used antifungal agents. A hemin conjugate with a branched arginine-containing peptide was shown to exhibit in vitro fungicidal activity at a concentration of 25 μM and inhibit the growth of the yeast-like fungus Candida albicans at concentrations as low as 12.5 μM. Content Type Journ... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5500455 Sat, 10 Dec 2011 16:54:46 +0100 5500455 http://www.medworm.com/index.php?rid=5500457&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F271v17148064t054%2F Abstract  Monoamine oxidase, a FAD-containing enzyme, is responsible for the degradation of various neurotransmitters and xenobiotic amines to aldehydes. The selective targeting of monoamine oxidases (MAOs) may also help to visualize the development of related diseases. A new activity-based fluorescent probe containing acetamide group has been synthesized. To minimize the interactions with the dye, a hexyl linker was inserted between MAO tracer 2-(alkylamino)-acetamide and fluorescein. Enzyme inhibitory activities of probe 1, compounds 2 and 3 were assayed to confirm a high binding affinity of the probe to MAOs (IC50 value: 35.1 μM for MAO-A and 150.8 μM for MAO-B). Cell imaging was investigated in breast cancer cell MCF-7 with confocal laser scanning microscopy,... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5500457 Fri, 09 Dec 2011 17:08:04 +0100 5500457 http://www.medworm.com/index.php?rid=5500456&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fa85n4113p5624643%2F Abstract  The quantitative structure–activity relationship (QSAR) studies were performed on a series of 42 chalcone derivatives to find out the structural requirements of their antimalarial activities. The multiple linear regression (MLR) and partial least square (PLS) regression methods coupled with various feature selection methods, viz., stepwise (SW), genetic algorithm (GA) and simulated annealing (SA) were applied to derive QSAR models which were further validated for statistical significance and predictive ability by internal and external validation. The statistically significant 2D-QSAR model having r 2 = 0.8892 and q 2 = 0.7508 with pred_r 2 = 0.7403 was developed by SW-MLR and best Group-based QSAR (GQSAR) model having r 2 =&n... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5500456 Fri, 09 Dec 2011 17:08:04 +0100 5500456 http://www.medworm.com/index.php?rid=5500458&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fh1661681nm505hx8%2F Abstract  Synthesis of some new pyrazolo[3,4-d]pyrimidine derivatives using readily available starting materials are described. A one-pot multi component cyclocondensation reaction was used to prepare the novel 3-methyl-4-aryl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine-6-thiol which served as a new starting material for all new compounds in this research. The anti-microbial activities of the selective synthesized compounds have been evaluated. Some of the newly prepared compounds were found to have moderate to strong anti-microbial activity, e.g., compound 4a, 6a, and 8, in comparison to the reference drugs. Molecular modeling of the most three biologically active new compounds 4a, 6a, and 8 compared to the reference drugs tobramycin and fluconazole was carried out using Fieldalign... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5500458 Fri, 09 Dec 2011 17:08:03 +0100 5500458 http://www.medworm.com/index.php?rid=5500459&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fj8k2086536718827%2F Abstract  Aluminum trichloride acts as readily available, inexpensive, and efficient catalyst for one-pot three-component condensation reaction of aldehydes, dicarbonyl, and 2-amino benzothiazole under the solvent-free conditions to afford the 4H-pyrimido[2,1-b][1,3]benzothiazole derivatives 4 with good yield. The compounds synthesized in this study were evaluated for their antibacterial activities against gram-positive and gram-negative bacteria, viz., Staphylococcus aureus, Pseudomonas aeruginosa, Salmonella typhi, Escherichia coli, Bacillus cereus, and Providencia rettegeri. Compounds 4c, 4d, 4f, 4g, and 4h showed their good activities against tested bacterial species. Pyrimidine derivatives 4d, 4f, and 4g have shown good antifungal activities against tested fungal strains,... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5500459 Thu, 08 Dec 2011 18:11:49 +0100 5500459 http://www.medworm.com/index.php?rid=5492142&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fj68545767241367q%2F Abstract  A new series of 2-[4-(4-substitutedbenzamido/phenylacetamido)phenyl] benzothiazole derivatives (6a–k) were synthesized and evaluated for antibacterial and antifungal activities against Staphylococcus aureus, Bacillus subtilis, Klebsiella pneumoniae, Pseudomonas aeruginosa, and Escherichia coli with their drug-resistant isolates and a yeast Candida albicans. Microbiological results indicated that the compounds possessed a broad spectrum of activity against the tested microorganisms at minimum inhibitory concentration (MIC) values between 100 and 6.25 μg/ml. Compounds 6d and 6k exhibited significant antibacterial activity showing 6.25 μg/ml MIC values against drug-resistant S. aureus and P. aeruginosa isolates, respectively. Content Type Journal Articl... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5492142 Tue, 06 Dec 2011 16:59:04 +0100 5492142 http://www.medworm.com/index.php?rid=5492143&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F2699t21068737604%2F Abstract  To examine new leads with potential antimicrobial and antioxidant activities, a new series of tetrahydropyrimidines (2a–c, 3a–c and 4a–c), pyrazolo[3,4-d]pyrimidines (5a–c), and ditetrazolo[1,5-a;1′,5′-c]pyrimidines (6a–c) were synthesized in this study using appropriate synthetic routes. The newly synthesized compounds have been tested for their antimicrobial and antioxidant activities against DPPH stable free radical. In the case of antibacterial activity, compounds 2a, 6a, and 6c exhibited the maximum zone of inhibition against Staphylococcus aureus; compound 6c exhibited maximum zone of inhibition against Pseudomonas aeruginosa; and compound 2a showed maximum inhibitory growth against Klebsiella pneumonia. While in the case of antifungal activities, ... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5492143 Tue, 06 Dec 2011 16:59:03 +0100 5492143 http://www.medworm.com/index.php?rid=5482365&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fap6780n77870k684%2F Abstract  A new series of 8-substituted-4(3H)-quinazoline derivatives were synthesized, evaluated for their anticonvulsant activity against chemically (PTZ, picrotoxin and Strychnine) and electrically (MES) induced seizures and compared with the reference drugs valproate and methaqualone. Acid hydrazide, acetylhydrazine carboxylate and acetylhydrazinecarbodithioate were the most active compounds with relatively low neurotoxicity compared with the standard drugs. The obtained results proved that the mostly active compounds could be useful as a model for future design, adaptation and investigation to construct more active analogues. Content Type Journal ArticleCategory Original ResearchPages 1-12DOI 10.1007/s00044-011-9914-8Authors Adel S. El-Azab, Department of Pharmace... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5482365 Mon, 05 Dec 2011 17:43:45 +0100 5482365 http://www.medworm.com/index.php?rid=5482364&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fj7177w7760r14276%2F This article is an attempt to formulate the three-dimensional pharmacophore modelling of pyrrolopyridine derivatives inhibiting mitogen-activated protein kinase activated protein kinase-2 (MK2). To understand the essential structural features for MK2 inhibitors, pharmacophore hypothesis were built on the basis of a set of known MK2 inhibitors selected from literature using PHASE program. Three pharmacophore models with one hydrogen-bond acceptor (A), two hydrogen-bond donors (D), one hydrophobic group (H) and one aromatic ring (R) as pharmacophoric features were developed. Amongst them the pharmacophore hypothesis ADDHR1 yielded a statistically significant 3D-QSAR model with 0.926 as R 2 value and was considered to be the best pharmacophore hypothesis. The developed pharmacophore model... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5482364 Mon, 05 Dec 2011 17:43:45 +0100 5482364 http://www.medworm.com/index.php?rid=5482366&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F2771388230w42466%2F Abstract  A series of aryl semicarbazones containing a methylene bridge in their skeleton were synthesized as anticonvulsant agents. The strategy of introducing a methylene bridge was to increase the flexibility of the structures because of sp3 hybridization. Pharmacological evaluations of the compounds were performed by determination of their effects on pentylenetetrazole-induced seizure parameters and neurotoxicity in mice. The statistical analysis indicated that most of the synthesized compounds showed significant anticonvulsant activity in comparison with the control group. No remarkable neurotoxicity was observed in rotorod test. A QSAR study was performed using multiple linear regressions. The results of the QSAR study confirmed that the compounds with Br at para posit... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5482366 Mon, 05 Dec 2011 17:43:44 +0100 5482366 http://www.medworm.com/index.php?rid=5482368&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F9838504w77118h24%2F Abstract  A group of symmetrical and asymmetrical esters of nifedipine analogs, in which the ortho-nitro phenyl group at position 4 was replaced by 2-ethyl(or H)-4(5)-chloro-5(4)-imidazolyl substituent, was designed and evaluated as anticonvulsant against pentylenetetrazole (PTZ)-induced seizure. Our molecular modeling studies reveals that 4-chloro tautomeric form is the main one and has good compatibility with nifedipine and that 4-H is syn-perpendicular. Docking studies reveal that the oxygen atoms of carbonyl group and the N3′ of imidazole ring of dihydropyridine form a hydrogen-bonding interaction with the receptor. The time-course of anticonvulsant' effect on PTZ-induced seizure threshold was assessed, and it showed that increasing the lipophilicity decreases the tim... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5482368 Mon, 05 Dec 2011 17:43:42 +0100 5482368 http://www.medworm.com/index.php?rid=5482367&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F11282lv009g7t616%2F Abstract  4-(5-Aryl-4H-[1,2,4]triazol-3-ylmethoxy)-2H-chromen-2-ones have been synthesized by the one pot cyclocondensation reaction of 2-(2-oxo-2H-chromen-4-yloxy)acetohydrazide with aromatic/heterocyclic aldehydes in the presence of ammonium acetate in acetic acid. The structures of all the new compounds have been established on the basis of their analytical and spectral data. These compounds were also evaluated for their antibacterial and antifungal activity against various strains of bacteria and fungi and some are found to possess significant antimicrobial activity when compared with ciprofloxacin and miconazole. Content Type Journal ArticleCategory Original ResearchPages 1-7DOI 10.1007/s00044-011-9881-0Authors Siva S. Panda, Department of Chemistry, University of ... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5482367 Mon, 05 Dec 2011 17:43:42 +0100 5482367 http://www.medworm.com/index.php?rid=5482369&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F8t441253636440v0%2F Abstract  A novel series of heteroaromatic analogues of known anti-inflammatory (AI) drug celecoxib replacing the benzenesulfonamide moiety with 6-sulfonamidobenzothiazol-2-yl moiety was synthesized. Regioselective synthesis of the target compounds 2a–i having 1,5-diaryl relationship was achieved by exploring reaction conditions. All the newly synthesized compounds (2a–i and 8) were screened for their in vivo AI activity using carrageenan-induced rat paw edema assay. Five compounds (2c–f and 2i) were found to possess good AI activity (≥60% inhibition), 3 h after the carrageenan injection when compared to that of standard drug indomethacin (78%), whereas the remaining four compounds (2a–b and 2g–h) with 1,5-diaryl relationship have shown moderate activity with 4... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5482369 Mon, 05 Dec 2011 17:43:41 +0100 5482369 http://www.medworm.com/index.php?rid=5482370&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F3u8655604w650243%2F Abstract  A series of 12 new pyrazoline derivatives was prepared from piperidyl chalcones, which in turn were synthesized by condensing 4-piperidin-1-ylbenzaldehyde with diverse acetylthiophenes. The target compounds were characterized by spectroscopic techniques (NMR, IR, MS) and elemental analysis. All the compounds were screened for cytotoxic and anti-HIV-1 activities. Compounds 1c, 1g, 1j, 2a, 2c, 2e, 2g, and 2k demonstrated potential anti-HIV activity but were cytotoxic except for 2e and 2k, which displayed no cytotoxicity in primary human cells. Bioassay results show that the type and positions of the substituents seem to be critical for their cytotoxic and anti-HIV-1 activities. Content Type Journal ArticleCategory Original ResearchPages 1-9DOI 10.1007/s00044-011-9... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5482370 Sat, 03 Dec 2011 16:48:58 +0100 5482370 http://www.medworm.com/index.php?rid=5473246&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fej1878h461g08731%2F This study is based on the synthesis of a series of combretastatin analogs with different substitutions on one aryl moiety and a carboxylic group in connecting chain. Cis-configuration with respect to aryl groups was established by X-ray crystal analysis. All the synthesized compounds were evaluated for anticancer activity against a panel of cell lines. Six compounds 1a, 1b, 1c, 1k, 1n, and 1p showed marked anticancer activity against human colon (colo-205), lung (A549), ovary (IGROV-1), prostrate (PC-3), CNS (SF-295), leukemia (THP-1), and breast (MCF-7) cell lines. Out of these, 1b showed remarkable inhibitory activity comparable to paclitaxel against lung cancer cell line with IC50 3.9 μM. Importance of carboxylic group in the synthesized compounds was studied by flexible doc... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5473246 Fri, 02 Dec 2011 17:30:27 +0100 5473246 http://www.medworm.com/index.php?rid=5473247&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fw253372366822725%2F Abstract  A set of novel Schiff bases of isatin were synthesized and characterized by reaction of isatin with various aromatic or heterocyclic primary amines. Cytotoxic activities for some of the synthesized compounds were evaluated by MTT assay in three human cancer cell lines (HeLa, LS180 and Raji). Half of the tested compounds showed good cytotoxicity in HeLa cells. 3-(2-(4-nitrophenyl) hydrazono) indolin-2-one was found to be the most potent molecule among the studied isatin derivatives. Docking studies of 3-substituted indolin-2-one scaffolds on vascular endothelial growth factor receptor 2 (VEGFR-2) involved in cell proliferation and angiogenesis was performed. 3-(naphthalen-1-ylimino) indolin-2-one and 3-(2-(4-nitrophenyl) hydrazono) indolin-2-one exhibited higher do... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5473247 Fri, 02 Dec 2011 06:48:19 +0100 5473247 http://www.medworm.com/index.php?rid=5473248&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fh803927276871267%2F Abstract  A new series of compounds 3a–f were synthesized from condensation method. Newly synthesized compounds were established by IR, 1H NMR, 13C NMR, mass spectral and elemental analysis. Synthesized compounds 3a–f were screened for anticonvulsant activity. The compound 2,2′-({3-methyl-5-[2-phenylethenyl]-1H-pyrrole-2,4-diyl}dicarbonyl)dihydrazinecarbothioamide 3a showed significant activity compared with other compounds 3b–f against pentamethylene tetrazole-induced seizures. Content Type Journal ArticleCategory Original ResearchPages 1-10DOI 10.1007/s00044-011-9919-3Authors A. Idhayadhulla, P.G & Research Department of Chemistry, Jamal Mohamed College, Tiruchirappalli, 620020 Tamil Nadu, IndiaR. Surendra Kumar, P.G & Research Department of Chemistry, Jamal Moha... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5473248 Thu, 01 Dec 2011 19:22:06 +0100 5473248 http://www.medworm.com/index.php?rid=5473249&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F91u58765j5933q02%2F Abstract  Ring transformation of sydnone (1a–i) to 1,3,4-oxadiazoline-2-one (2a–i) was carried out using bromine in acetic anhydride. The compounds (2a–i) on heating with hydrazine hydrate gave 1,2,4-triazole (3a–i) in good yields. The structure of these unknown compounds was confirmed by IR, 1H NMR, MS and elemental analysis. Further, these compounds were evaluated for the extent of penetration into biological membranes (clogP) drug likeliness and finally drug score was calculated. The title compounds were also screened for their antihyperglycemic, DNA cleavage and antioxidant activity. Content Type Journal ArticleCategory Original ResearchPages 1-11DOI 10.1007/s00044-011-9921-9Authors Tasneem Taj, PG Department of Studies in Chemistry, Karnatak University, Dhar... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5473249 Thu, 01 Dec 2011 19:22:05 +0100 5473249 http://www.medworm.com/index.php?rid=5473250&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F668033r402r23j62%2F In this study, a novel series of 4,5-dihydro-7-alkoxy(phenoxy)-tetrazolo[1,5-a]quinoline derivatives was synthesized as potential antidepressant agents. Their antidepressant activities were evaluated by the forced swimming test and tail suspension test models. The pharmacological results showed that 7-(4-fluorobenzyloxy)-4,5-dihydrotetrazolo[1,5-a]quinoline 7j was found possessing strong activity in the both tests, especially in the FTS model, which was considered as the most promising compounds in this study. Content Type Journal ArticleCategory Original ResearchPages 1-7DOI 10.1007/s00044-011-9922-8Authors Xian-Yu Sun, College of Animal Science and Technique, Heilongjiang Bayi Agriculture University, Daqing, 163319 Heilongjiang, ChinaXian-Jing He, College of Animal Science and T... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5473250 Wed, 30 Nov 2011 18:42:19 +0100 5473250 http://www.medworm.com/index.php?rid=5473251&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fd17t4112707n7072%2F Abstract  A new series of 2,6-ditertiarybutyl 4-piperidones were prepared from an aliphatic aldehyde not having an alpha hydrogen atom and their structures were confirmed by elemental and spectral data. These compounds were screened for antibacterial (Bacillus subtilis, Escherichia coli, and Klebsiella pneumonia) and antifungal (Aspergillus niger and Trichoderma sp.) activities and found to be potentially active against bacteria and fungi. Content Type Journal ArticleCategory Original ResearchPages 1-5DOI 10.1007/s00044-011-9913-9Authors C. Govindaraju, Department of Chemistry, Annamalai University, Annamalai Nagar, 608 002 IndiaR. Valliappan, Chemistry Wing, DDE, Annamalai University, Annamalai Nagar, 608 002 IndiaV. Sundari, FEAT, Annamalai University, Annamalai Nagar, ... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5473251 Wed, 30 Nov 2011 18:42:18 +0100 5473251 http://www.medworm.com/index.php?rid=5473252&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F11wq008508710n5w%2F Abstract  QSAR model development of 37 phenyl benzoxazole was carried out to predict the fold selectivity for estrogen receptor. The ratio of IC50 for estrogen receptor-α and estrogen receptor-β (fold selectivity) was taken as biological activity. Physicochemical parameters were calculated using Dragon software, version 1.11. Sequential multiple linear regression analysis was carried out to derive QSAR models, which were further evaluated for statistical significance and predictive power by internal and external validation. The best quantitative structure activity relationship model was selected having a correlation coefficient (R 2) of 0.948, cross-validated correlation coefficient (Q 2) of 0.921, and R pred2 of 0.853. The predictive ability of the selected model was al... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5473252 Wed, 30 Nov 2011 04:35:41 +0100 5473252 http://www.medworm.com/index.php?rid=5473253&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F7124p44052703u33%2F Abstract  Epidemiological studies have established an inverse relationship between plasma high-density lipoprotein (HDL) cholesterol concentration, and incidence of coronary artery disease (CAD); thus, the development of novel therapies that attempt to exploit the atheroprotective functions of HDL is a major goal. Inhibition of cholesteryl ester transfer protein (CETP) is one of the approaches targeted to increase HDL cholesterol concentration. CETP is a glycoprotein involved in transporting lipoprotein particles and neutral lipids between HDL and low-density lipoproteins (LDL), and therefore CETP inhibitors could be useful agents in the future for treating dyslipidemia and related disorders. Guided by our previously reported pharmacophore and QSAR models for CETP inhibitio... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5473253 Tue, 29 Nov 2011 22:20:16 +0100 5473253 http://www.medworm.com/index.php?rid=5473254&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fw952nwp37x8645q2%2F Abstract  A three dimensional (3D) pharmacophore model of Beta-site APP cleaving enzymes 1 (BACE-1) inhibitors with strong capability of activity prediction was generated for pharmacophore-driven identification of potent multi-target neuroprotective agents. It was developed by HypoGen process in Catalyst system from a training set of 74 BACE-1 inhibitors, represented by four features: two hydrogen bond acceptors, one hydrophobic feature, and one positive ionizable feature. And the ion–dipole interactions between P4-site of OM99-2 and residues of BACE-1 was illustrated by using Ligand Fit in Cerius 2. Subsequently, based on the similarity of 3D pharmacophore models of the BACE-1 inhibitors and the poly(ADP-ribose) polymerase-1 (PARP-1) inhibitors, 2-aminothiazole analogues... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5473254 Tue, 29 Nov 2011 22:20:15 +0100 5473254 http://www.medworm.com/index.php?rid=5464491&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fb71321032716x267%2F Abstract  The pyrazole derivatives were synthesized and pharmacologically evaluated for analgesic (tail flick) and anti-inflammatory (based on carrageenan-induced paw edema) activities. Compound 4k showed high potency as an anti-inflammatory agent after 3 and 4-h time intervals (P < 0.001) equipotent to indomethacin. They were devoid of ulcerogenic potential when administered at a dose of 30 mg/kg. The compounds, which showed less ulcerogenic action, also showed reduced malondialdehyde content (MDA), which is one of the byproduct of lipid peroxidation. Further docking studies of titled compounds was done to understand key interactions responsible for observed inhibition of COX enzyme. The most active compound 4k was found to have −11.192 kcal/mol, as ... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5464491 Mon, 28 Nov 2011 16:59:01 +0100 5464491 http://www.medworm.com/index.php?rid=5464494&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fg0u62862t4747rh0%2F Abstract  Heteroaromatic derivatives (3a–f) have been synthesized and evaluated for their activity against four cancer cell lines. Among the studied compounds, 1-(7-Chloroquinolin-4-yl)-2-[(1H-pyrrol-2-yl)methylene]hydrazine (3e) exhibited an excellent cytotoxic activity against the referred lines, and especially on melanoma cells (MDAMB-435). In this case, compound 3e is four times more active than the standard substance Doxorubicin. Together with other results from our group, 7-chloro-4-quinolinylhydrazones derived from chloroquine could be considered a relevant finding toward the rational design of new leads for antitumor compounds. Content Type Journal ArticleCategory Original ResearchPages 1-5DOI 10.1007/s00044-011-9894-8Authors Raquel Carvalho Montenegro, Labora... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5464494 Sat, 26 Nov 2011 16:48:12 +0100 5464494 http://www.medworm.com/index.php?rid=5464493&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F9661766l1l276802%2F Abstract  Several mono-Schiff’s bases (3a–i) and bis-Schiff’s bases (5a–f) were synthesized using microwave irradiation technique (3a–h, 5a–c) and by simply grinding at room temperature for a few minutes (3i, 5d–f). All these compounds were characterized by spectroscopic means and elemental analysis. They were screened for anti-inflammatory and anticancer activities (against five human cancer cell lines). Compound 5f exhibited good anti-inflammatory and compounds 3f, 5a–f exhibited good anticancer activity. Content Type Journal ArticleCategory Original ResearchPages 1-9DOI 10.1007/s00044-011-9899-3Authors Sham M. Sondhi, Department of Chemistry, Indian Institute of Technology, Roorkee, Uttrakhand 247667, IndiaSurbhi Arya, Department of Chemistry, Indian In... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5464493 Sat, 26 Nov 2011 16:48:12 +0100 5464493 http://www.medworm.com/index.php?rid=5464492&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fr6501586t164pg52%2F Abstract  A novel series of 6-bromo-3-(2-morpholino methyl amino)-6-substituted phenyl pyrimidine-4-yl-2H-chromone-2-one (6aM–6jM) and 3-(2-((piperidine-1-yl)methyl amino)-6- substituted phenylpyrimidin-4-yl)-6-bromo-2H-chromone-2-one (6aP–6jP) have been synthesized from 3-(2-amino-6-pyrimidin-4-yl)-6-bromo-2H-chromen-2-one (5a–5j) which were synthesized from 3-acetyl-6-bromo-2H-chromen-2-one (3). The reactions were carried out by conventional and microwave method. The salient feature of microwave method are rapid reaction rate, cleaner reaction condition, and enhancement in chemical yield compared to conventional method, the structures of the synthesized compounds were characterized by I.R., 1H NMR, 13C NMR, Mass spectroscopic techniques. All the compounds screened at a ... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5464492 Sat, 26 Nov 2011 16:48:12 +0100 5464492 http://www.medworm.com/index.php?rid=5453660&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fx553674269116414%2F Abstract  The synthesis and evaluation of the anticancer activity of new acylated oximes derivatives of oleanolic acid with 4-thiazolidinone-3(5)-carboxylic acid moieties were described. Newly synthesized compounds were elucidated on the basis of elemental analyses and spectral data (IR, 1H, and 13C NMR). Anticancer activity of the tested compounds has been evaluated in vitro at National Cancer Institute (NCI) in which some structure activity relationships (SARs) were discussed. Among the tested compounds, 3-[(2,4-thiazolidinedione-5-ylidene)-carboxyimino]olean-12-en-28-oic acid methyl ester (IVm) was superior to other related compounds with mean values of pGI50 = 5.51/5.57, pTGI = 5.09/5.13, and pLC50 = 4.62/4.64, low toxicity and moderate activ... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5453660 Thu, 24 Nov 2011 17:50:32 +0100 5453660 http://www.medworm.com/index.php?rid=5453659&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F7k4021h4g847767h%2F Abstract  The aim of this study was to ascertain systematically interaction properties of active compounds in green tea extract (GTE) and involved proteins in the path of drugs delivery by high performance liquid chromatography–UV/DAD combined with ultrafiltration. GTE prepared by 50% methanol was separated successfully into fourteen components under optimized chromatographic conditions. Binding degrees of (−)-catechin (C), (−)-epigallocatechin gallate (EGCG), caffeine, and (−)-epicatechin gallate (ECG) in GTE with human plasma protein, rat plasma protein, human serum albumin (HSA), pancreas membrane protein (PMP), and rat pancreas cell membrane (PCM) were determined, respectively. The binding degrees of C, EGCG, ECG, and caffeine were above 80% of the total plasma ... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5453659 Thu, 24 Nov 2011 17:50:32 +0100 5453659 http://www.medworm.com/index.php?rid=5453661&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fn6783k5u1260v038%2F In this study, a series of 3-butylquinazolinedione linked with different substituent to N1 of quinazoline nucleus have been synthesized. Some of the new final compounds tested in vitro for their inhibitory activity against phosphodiestrase 4B which is the enzyme responsible for the hydrolysis of cyclic adenosine mono phosphate, the second messenger involved in the regulation of important cell functions. Compound 7f (100%) showed inhibition better than rolipram (90%), while the other tested compounds showed moderate activity. Docking study has been done to rationalize the obtained biological results. Content Type Journal ArticleCategory Original ResearchPages 1-11DOI 10.1007/s00044-011-9892-xAuthors Afaf K. Elansary, Department of Organic Chemistry, Faculty of Pharmacy, Cairo Uni... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5453661 Thu, 24 Nov 2011 17:50:31 +0100 5453661 http://www.medworm.com/index.php?rid=5453663&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fmt7278635k532554%2F Abstract  A series of pyridazinone-containing compounds were designed and synthesized as congeners for diclofenac, the most potent and widely used NSAID. The target compounds were evaluated for their anti-inflammatory activity on rat paw edema inflammation model against diclofenac as a reference compound. Seven of the tested compounds demonstrated more than 50% inhibition of carrageenan-induced rat paw edema at a dose 10 mg/kg. The compounds, 6-(2-bromophenylamino)pyridazin-3(2H)-one 2a and 6-(2,6-dimethylphenylamino)pyridazin-3(2H)-one 2e, displayed 74 and 73.5% inflammation-inhibitory activity, respectively, which is comparable to diclofenac (78.3%) at the same dose level after 4 h. The most active compounds as anti-inflammatory agents, 2a, 2e, and 6a, displayed f... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5453663 Thu, 24 Nov 2011 17:50:30 +0100 5453663 http://www.medworm.com/index.php?rid=5453662&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fwp042766515n87u0%2F This study utilises chalcones as starting compounds that are obtained by Claisen-Schmidt condensation. These chalcones underwent cyclisation upon treatment with urea and thiourea in the presence of sodium hydroxide to obtain the corresponding pyrimidinones and pyrimidinethiones. The structures of the synthesized compounds were investigated by means of UV, IR, 1H NMR and Mass spectral analysis. The anti-oxidant activity of the compounds was measured by standard free radical scavenging assays (DPPH, Nitric oxide radicals). The compounds with significant anti-oxidant activity were then screened for the in vivo anti-inflammatory activity and it showed that the compounds ETT and DMT possess good activity as comparable to the standard. All the synthesized compounds were evaluated for their... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5453662 Thu, 24 Nov 2011 17:50:30 +0100 5453662 http://www.medworm.com/index.php?rid=5453664&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F505413560001262k%2F This study is also a collection of studies performed on the physical and chemical aspects of mefenamic acid. The method developed constitutes mobile phase, acetonitrile:acetic acid:water (72.5:1:26.5, v/v/v) at pH 3 and mefenamic acid was monitored with UV detection at 279 nm, eluting out at 3.98 min. The present HPLC method was found to be linear (100–300 μg mL−1), accurate, and least time consuming with very good recovery. The limits of detection of the method were found to be 10 μg mL−1. This method was also used to study the stability profile of mefenamic acid in tablets for 5 years and suspension for 4 years. The excipients present in the formulation did not interfere with the assay. The present method was also compared with the UV�... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5453664 Thu, 24 Nov 2011 17:50:29 +0100 5453664 http://www.medworm.com/index.php?rid=5453665&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F46618532r7w30017%2F Abstract  New organotin (IV) derivatives of thiophene acetic acid have been prepared and characterized by IR, 1H- and 13C-NMR spectroscopic techniques. A single crystal of {[n-Bu2SnO2C–CH2–C4H3S]2O}2 has been synthesized and its cell parameters were measured. It crystallizes in the monoclinic system (P21) [a = 15.1337(7), b = 12.2587(5), c = 18.8766(9), and β = 105.811(5)°]. The compound showed selective inhibitory effect against β-glucuronidase enzyme (IC50 3.1 ± 0.1 μM), which is more potent than our standard, d-saccharic acid 1,4-lactone (IC50 48.4 ± 1.3 μM). Also, it exhibited immunomodulatory activity, and cytotoxicity against PC-3 cell line (IC50 = 16.9 ± 1.3 μM, and ... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5453665 Thu, 24 Nov 2011 17:50:27 +0100 5453665 http://www.medworm.com/index.php?rid=5453666&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fd4v5011w70641222%2F Abstract  A series of isoxazolyl thiazolyl pyrazoles 5a–d was synthesized by multi-step process, starting from 3-acetyl-4-hydroxy-6-methyl-2H-pyran-2-one (dehydroacetic acid, DHAA) 1. DHAA 1 was easily converted to thiosemicarbazone 2 which on reaction with α-bromoketones yielded thiazolyl hydrazones 3. Refluxing 3 in ethanol-acetic acid furnished 1-(5-hydroxy-3-methyl-1-substituted pyrazol-4-yl)-1,3-butanediones 4. Finally, the title compounds 5a–d were synthesized from 4 on treatment with hydroxylamine. The in vitro antimicrobial activity of compounds 3a–d, 4a–d and 5a–d were tested. Most of the synthesized compounds exhibited significant antibacterial and antifungal activities. Content Type Journal ArticleCategory Original ResearchPages 1-8DOI 10.1007/s00044-01... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5453666 Wed, 23 Nov 2011 17:37:56 +0100 5453666 http://www.medworm.com/index.php?rid=5446933&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Ff1860n04q21n564p%2F Abstract  Diphenhydramines are one of the first-generation histamine H1-receptor antagonists of the ethanolamine class that demonstrate many pharmacological properties including anti-inflammatory effects. In this research, bromo (II) and two new tolyl derivatives of I, (Di [p-tolyl] [dimethylaminoethoxy] methane, III) and (Di [p-tolyl] [2-morpholinoethoxy] methane, IV) were synthesized. Their acute and chronic anti-inflammatory activities were evaluated with the formalin and histamine-induced rat paw edema. The vascular permeability in formalin and histamine-induced paw edema, in xylene-induced ear edema, and in peritonitis after acetic acid application into peritoneal cavity were also measured and compared to II. Cotton pellet-induced granuloma model was selected for inducing... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5446933 Mon, 21 Nov 2011 18:04:53 +0100 5446933 http://www.medworm.com/index.php?rid=5446934&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F587l4q1p75mw25q7%2F Abstract  Crystals of the [SbBr3(MMBZT)2] (1) complex (MMBZT = N-methyl-2-mercaptobenzothiazole) were grown from acetonitrile/methanol of the filtrate derived from the reaction between 3-methyl-2-mercaptobenzothiazole (MMBZT) in methanol, with antimony(III) bromide in acetonitrile. The crystal structure of 1 (C16H14Br3N2S4Sb) was determined by X-ray diffraction at 100(2) K, in space group P-1, with a = 10.738(2) Å, b = 11.387(3) Å, c = 11.439(3) Å, α = 62.764°, β = 63.36(2)°, γ = 85.074(2)°, and Z = 2. The geometry around the metal center of complex 1 is square pyramidal, with two sulfur atoms from thione ligands and three bromide anions around Sb(III). Complex is monomer... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5446934 Sat, 19 Nov 2011 16:54:16 +0100 5446934 http://www.medworm.com/index.php?rid=5446935&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F4010412k082648k7%2F Abstract  A docking analysis performed on four selected imidazo[1,2-a]pyridine carboxylic acid derivatives indicated the binding of these to enzymes COX-1 and COX-2 active pockets. An in vitro analysis showed that compound 3-amino imidazo[1,2-a]pyridine-2-carboxylic acid (5) preferentially inhibited COX-2. The compounds (10 mg/kg) were evaluated in relation to a potential acute and chronic anti-inflammatory activity. Compound (5) and imidazo[1,2-a]pyridine-2-carboxylic acid (2) inhibited the edema produced by carrageenan more efficiently than indomethacin. Chronic anti-inflammatory activity was found in derivative (5) and indomethacin-treated groups in the granuloma model, the compound (2) and nitro-acid (4) had only a fair activity. Compound (2), nitro-carboxylate (3), a... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5446935 Sat, 19 Nov 2011 16:54:14 +0100 5446935 http://www.medworm.com/index.php?rid=5446937&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F30j244p31t3x5231%2F Abstract  A series of isomeric α- and β-(1-adamantylthio)pyridines were previously documented to possess interesting antimicrobial and antimalarial activities. In this study, the antioxidant and cytotoxic potentials of 1-adamantylthio-3-methyl and 2-,3-,4-phenylpyridines (1–10) were investigated. The tested compounds were shown to exhibit interesting superoxide (SOD)- and free radical (DPPH)-scavenging activities as well as cytotoxic activities. Particularly, β-(1-adamantylthio)-4-phenylpyridine (8) was shown to be the most potent antioxidant and cytotoxic compound. QSAR studies revealed that dipole moment (μ) and electrophilic index (ω i) were the most important descriptors accounting for the observed SOD activities. Compounds with high μ and ω i values were observe... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5446937 Sat, 19 Nov 2011 16:54:12 +0100 5446937 http://www.medworm.com/index.php?rid=5446936&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fb224680371688176%2F Abstract  Various 3-acetyl-2,5-disubstituted-2,3-dihydro-1,3,4-oxadiazoles (11–20) were prepared by the reaction of aryl substituted hydrazones of 4-fluorobenzoic acid hydrazide (1–10) with acetic anhydride. The structures of the synthesized compounds 11–20, were confirmed by UV, IR, 1H-NMR and mass spectroscopic methods. Antifungal evaluation of the hydrazide–hydrazones 1–10 and corresponding 3-acetyl-2,5-disubstituted-2,3-dihydro-1,3,4-oxadiazoles 11–20, against clinical and standard Candida pathogens have been performed by using agar diffusion to indentify the active compounds, which were later subjected to a broth microdilution assay to justify the activity level in terms of minimum inhibitory concentrations (MIC). 4-Fluorobenzoic acid [(5-bromothiophen-2-yl)met... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5446936 Sat, 19 Nov 2011 16:54:12 +0100 5446936 http://www.medworm.com/index.php?rid=5446939&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fh314l2788709t276%2F Abstract  A series of 5-aryl-1H-1,2,4-triazole-3-thiol (3) were synthesized. Alkylation of thiol group with N,N-dimethyl/diethyl/dicyclo hexyl-(2-chloro ethyl) amine gave compounds N,N-disubstituted-2-(5-aryl-1H-1,2,4-triazol-3-ylthio)ethanamine (4). These compounds were characterized on the basis of IR, 1H NMR, Mass spectral data, and elemental analysis. The newly synthesized compounds were screened for their antidepressant activity by using tail suspension test in mice. Content Type Journal ArticleCategory Original ResearchPages 1-5DOI 10.1007/s00044-011-9902-zAuthors C. Radhika, RBVRR Women’s College of Pharmacy, Barkathpura, Hyderabad, 500027 Andhra Pradesh, IndiaA. Venkatesham, University College of Pharmaceutical Sciences, Kakatiya University, Warangal, 506009 And... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5446939 Sat, 19 Nov 2011 16:54:11 +0100 5446939 http://www.medworm.com/index.php?rid=5446938&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F26vqt4g412704771%2F Abstract   Mentha cervina is a medicinal plant traditionally used in Portugal in folk medicine, in different gastric disorders and inflammations of the respiratory tract. In order to validate those traditional uses, M. cervina essential oils (EOs) were characterized by GC and GC–MS and their antimicrobial activity was tested against 23 bacterial strains (including multiresistant strains). The EOs were dominated by the monoterpenes pulegone (52–75%), isomenthone (8–24%), limonene (4–6%), and menthone (1–2%). The antibacterial activity of these EOs was compared to that of the main components standards. The most effective antibacterial activity was expressed by the EOs against the Gram-negative bacteria, Escherichia coli and Acinetobacter baumanni, with MIC values of ... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5446938 Sat, 19 Nov 2011 16:54:11 +0100 5446938 http://www.medworm.com/index.php?rid=5436750&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fh7507r134jp42755%2F Abstract  The present article describes the synthesis of two novel series of thiosemicarbazones 3 and thiazolylhydrazinomethylidenepyrazoles 5. All the newly synthesized target compounds (3a–e and 5a–o) were screened for their in vivo anti-inflammatory (AI) activity using carrageenan-induced rat paw edema assay and in vitro antibacterial activity against two Gram-positive and two Gram-negative bacteria. Eight compounds (3b–d, 5b, 5e, 5f, 5i, and 5o) showed consistently excellent AI activity (≥70% inhibition), at 3 and 4 h after the carrageenan injection, comparable to that of standard drug indomethacin (78%) whereas the remaining twelve compounds have shown significant activity with 57–75% inhibition after 3 h and 56–63% inhibition after 4 h. Al... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5436750 Fri, 18 Nov 2011 17:30:12 +0100 5436750 http://www.medworm.com/index.php?rid=5436749&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F2273741u565362p4%2F Abstract  Carboxamide complexes having general formula as [ML]Cl2·nH2O (where M = Cu(II), Zn(II); n = 0, 1/2) were synthesized using heterocyclic carboxamide ligands: 1,4-bis[3-(2-thiophenecarboxamido)propyl]piperazine (L1) and 1,4-bis[3-(2-furancarboxamido) propyl]piperazine (L2). Their structures were characterized with elemental analysis, molar conductivity, magnetic susceptibility, and spectral methods (1H-NMR, 13C-NMR, FT-IR, LC-MS). TGA and DTA curves were also performed. The structure–activity relationship for the ligands was investigated using PM3 semi-empirical method. The antibacterial activities of the carboxamides and their complexes were investigated against bacteria; Staphylococcus aureus ATCC 25923, Escherichia coli ATCC 11230, Bacillus ma... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5436749 Fri, 18 Nov 2011 17:30:12 +0100 5436749 http://www.medworm.com/index.php?rid=5436752&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fq112l476485x01g9%2F In conclusion, the anxiolytic activity of BDFD upon the anxiety models showed a promising result and could be useful for primary medical care. Content Type Journal ArticleCategory Original ResearchPages 1-5DOI 10.1007/s00044-011-9888-6Authors Daniel Dhayabaran, Farooqia College of Pharmacy, Mysore, 570 021 IndiaJeyaseeli Florance, Farooqia College of Pharmacy, Mysore, 570 021 IndiaKrishnadas Nandakumar, Department of Pharmacology, Manipal College of Pharmaceutical Sciences, Manipal, 576 104 IndiaAyarivan Puratchikody, Department of Pharmaceutical Technology, Anna University of Technology, Tiruchirappalli, 620 024 India Journal Medicinal Chemistry ResearchOnline ISSN 1554-8120Print ISSN 1054-2523 (Source: Medicinal Chemistry Research) Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5436752 Fri, 18 Nov 2011 17:30:11 +0100 5436752 http://www.medworm.com/index.php?rid=5436751&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F9508403273136542%2F In this study, a novel series of quinazolinone derivatives analogue to nitraquazone structure were synthesized. The compounds tested for their inhibitory activity against phosphodiesterase 4B revealed that compound 6d shows promising inhibitory activity comparable to that of Rolipram, whereas compounds 6a and 6c exhibited moderate inhibitory activity. Content Type Journal ArticleCategory Symposium PaperPages 1-9DOI 10.1007/s00044-011-9846-3Authors Afaf K. Elansary, Department of Organic Chemistry, Faculty of Pharmacy, Cairo University, Cairo, 11562 EgyptHanan H. Kadry, Department of Organic Chemistry, Faculty of Pharmacy, Cairo University, Cairo, 11562 EgyptEman M. Ahmed, Department of Organic Chemistry, Faculty of Pharmacy, Cairo University, Cairo, 11562 EgyptAmr Sayed Motawi Sono... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5436751 Fri, 18 Nov 2011 17:30:11 +0100 5436751 http://www.medworm.com/index.php?rid=5436755&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fft7l51647p1546k7%2F Abstract  A series of 4,5-diaryl-2-[4-(t-amino)-2-butynyl]-2,4-dihydro-3H-1,2,4-triazol-3-ones were synthesized and characterized by infrared spectrum (IR), 1H-NMR spectra and elemental analyses. Investigation of their antimicrobial activity was performed. Antimicrobial activity profile of the title compounds were evaluated against Gram- positive bacteria, Gram-negative bacteria and fungi. The synthesized compounds displayed different degrees of antimicrobial activities as shown in Table 3. Compound 12 was the most active one. This may be attributed to 4,5-diphenylsubstituent on the triazoline-3-one ring and the nature of the amino groups at terminal acetylenic moiety. Content Type Journal ArticleCategory Original ResearchPages 1-6DOI 10.1007/s00044-011-9840-9Author... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5436755 Fri, 18 Nov 2011 17:30:09 +0100 5436755 http://www.medworm.com/index.php?rid=5436754&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fp75g13261n617807%2F In this study, the anticonvulsant activity evaluation of a series of new 2,4(1H)-diarylimidazoles, characterized by the presence of different substituents on the aryl rings, was described. The anticonvulsant activity profile of those compounds was determined by Maximal Electroshock Seizure (MES), subcutaneous Metrazol Seizure (scMet) tests, and 6-Hz seizure model, whereas their neurotoxicity was examined using rotarod test. The trifluoromethoxy derivative, obtained starting from phenylglyoxal, p-OCF3-benzaldehyde, and ammonium acetate in methanol (r.t.), exhibited a great ability to prevent the seizures induced in the 6-Hz test, becoming a new promising molecule to develop for the treatment of therapy-resistant partial seizures. Content Type Journal ArticleCategory Original Resear... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5436754 Fri, 18 Nov 2011 17:30:09 +0100 5436754 http://www.medworm.com/index.php?rid=5436753&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fy431064k208h5p41%2F Abstract  A new series of indole-based chromene derivatives 4a–4p has been synthesized by one pot cyclocondensation reaction of 2-phenyl-1H-indole-3-carbaldehyde 1a–1h; malononitrile 2; and 1,3-cyclohexanedione/dimedone 3a/b under microwave irradiation catalyzed by an organocatalyst 4-(N,N-dimethylamino) pyridine. Easy experimental procedure, high yield, selectivity, and shorter reaction time are the imperative features of this method. All the compounds were screened against a representative panel of bacteria and fungi. Some of the compounds are found to be equipotent or more potent than that of standard drugs as evident from SAR study. Content Type Journal ArticleCategory Original ResearchPages 1-11DOI 10.1007/s00044-011-9861-4Authors Harshad G. Kathrotiya, Departme... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5436753 Fri, 18 Nov 2011 17:30:09 +0100 5436753 http://www.medworm.com/index.php?rid=5436756&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fnq6713267792g717%2F In this study, we tested whether the oral administration of EBHU18, one of the newly synthesized fatty acid bile acid conjugates (FABACs), was able to prevent the development of cholesterol gallstones. In the first study, gallstone-susceptible C57BL/6 mice were fed a lithogenic diet for 8 weeks, and then treated with ursodeoxycholic acid (UDCA, 10 mg kg−1 day−1, i.g.), EBHU18-L (0.5 mg kg−1 day−1 i.g.), or EBHU18-H (3 mg kg−1 day−1 i.g.). In the second study, C57BL/6 mice were fed the lithogenic diet for 8 weeks and then treated with EBHU18 at a daily dose of 3 mg (EBHU18-H) or 0.5 mg (EBHU18-L) or with 10 mg of UDCA for another 8 weeks. Pre-treatment or post-treatment with EBHU18 at 3 mg k... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5436756 Fri, 18 Nov 2011 17:30:08 +0100 5436756 http://www.medworm.com/index.php?rid=5436758&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fm55165gx545605h6%2F Abstract  Many natural as well as synthetic heterocylic compounds are known to have different biological activities. The pyridazine moiety is an important structural feature of many biologically active compounds and show diverse pharmacological properties. Pyridazines hold considerable interest relative to the preparation of organic intermediates and physiologically active compounds. However, some compounds bearing pyridazinone rings have been reported to be effective in different cardiovascular diseases. On the basis of the reported literature, we study here on pyridazine compounds to their different biological activities on cardiovascular system. Pyridazinones further draw our focused attention because of their easy fictionalization at various ring positions, which makes ... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5436758 Fri, 18 Nov 2011 17:30:07 +0100 5436758 http://www.medworm.com/index.php?rid=5436757&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F6103w42853232540%2F Abstract  Affinities of arylpiperazinylalkyl derivatives of imidazo[2,1-f]purine-2,4-dione and imidazolidine-2,4-dione for serotonin transporter and their acid–base properties were evaluated. The dissociation constant (pK a) of compounds 1–22 were determinated by potentiometric titration and calculated using pKalc 3.1 module of the Pallas system. The data from experimental methods and computational calculations were compared and suitable conclusions were reached. Content Type Journal ArticleCategory Original ResearchPages 1-5DOI 10.1007/s00044-011-9883-yAuthors Agnieszka Zagórska, Department of Pharmaceutical Chemistry, Jagiellonian University Medical College, Medyczna 9 St, 30-688 Kraków, PolandAnna Czopek, Department of Pharmaceutical Chemistry, Jagiellonian Uni... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5436757 Fri, 18 Nov 2011 17:30:07 +0100 5436757 http://www.medworm.com/index.php?rid=5436759&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fd61n8hm73m1737j8%2F Abstract  Carbonic anhydrase IX (CA IX) is considered as a potential target for cancer therapy. In order to identify new scaffolds compounds and use them for designing novel CA IX inhibitor, herein 3D pharmacophore hypotheses had been established. Hypo 1, the best pharmacophore hypothesis, which had highest cost difference, best correlation coefficient, and lowest root mean square deviation, was validated by test set and Fischer’s randomization methods, and it was used for chemical database virtual screening. The hit compounds were filtered by Lipinski’s rule of five and ADMET properties. Finally, 100 hits with good estimated activity values were used for docking studies. These hits may act as novel leads for CA IX inhibitors designing. Content Type Journal ArticleC... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5436759 Fri, 18 Nov 2011 17:30:06 +0100 5436759 http://www.medworm.com/index.php?rid=5436760&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fvr31p82624n10337%2F In this study, hybrids 7–12 and 19–24 were synthesized via Williamson reaction of O-Quinaldine alkyl bromide plus eugenol and O-triclosan alkyl bromide plus 8-hydroxyquinaldine, respectively. Structures of the products were elucidated by spectroscopic analysis. The compounds synthesized were evaluated for antileishmanial activity against L. panamensis amastigotes and cytotoxic activity against U-937 cells. The compounds 19, 20, and 21 that are 8-hydroxyquinaldine linked to triclosan by 3, 4, and 5-carbon space, respectively, were more active against axenic amastigotes (EC 50 = 23.6, 9.7, and 4.1 μg/ml, respectively). Compounds 19 and 21 were also active against intracellular amastigotes with EC 50 vales of 6.4 and 2.4 μg/ml, respectively, making these compound... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5436760 Fri, 18 Nov 2011 17:30:05 +0100 5436760 http://www.medworm.com/index.php?rid=5436761&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fu78612202g257416%2F Abstract  To identify novel and potent anticonvulsant ligands, initially 2D and 3D-QSAR models were generated using a series some prop-2-eneamido and 1-acetyl-pyrazolin derivatives of aminobenzothiazole as anticonvulsants. Both the QSAR models yielded significant cross-validated q 2 values of 0.67 and 0.81 and predicted r 2 (pred_r 2) values of 0.66 and 0.83 for 2D and 3D, respectively. Continuing with series of aminobenzothiazole derivatives chemical feature based pharmacophore models with lowest RMSD value (0.1294 Å), consists of two aromatic carbon centre, one hydrogen bond acceptor and one hydrogen bond donor features was developed. To discover new hits, developed pharmacophore model was subjected to screen molecules from specs database. Screened hits which were... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5436761 Fri, 18 Nov 2011 17:30:04 +0100 5436761 http://www.medworm.com/index.php?rid=5427536&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fu5914857118600g1%2F In this study, a novel series of heterocyclic compounds containing pyrazoline nucleus has been synthesized. The compounds were synthesized in two steps. Chalcone was synthesized in the first step by Claisen-Schmidt reaction, using 1-acetylnaphthalene and p-nitro benzaldehyde as reactants. In the second step, the chalcone was cyclized in an acidic medium with some hydrazine derivatives to form pyrazolines. All the compounds were characterized by physical, chromatographic, spectroscopic, and elemental analysis and evaluated in vitro for antimicrobial activity against nine microorganisms by cup-plate method. The minimum inhibitory concentration of all the compounds was determined by tube dilution method. All the compounds exhibited higher antibacterial activity as compared to the antifu... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5427536 Wed, 16 Nov 2011 18:00:02 +0100 5427536 http://www.medworm.com/index.php?rid=5427537&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F344u254h2h6u05hn%2F Abstract  Flavopiridol, as a cyclin-dependent kinase (CDK) inhibitor, has entered into phase II study of clinical trial in chronic lymphocytic leukemia. In our study, flavopiridol decreased cell viability, significantly arrested cell cycle in G1 phase and induced cell apoptosis in HepG2/2.2.1 cells. Flavopiridol also inhibited protein expression of cyclin D1, cyclin-dependent kinase 4 (CDK4), cyclin-dependent kinase 6 (CDK6), and downregulated X-linked IAP (XIAP) expression in a dose-dependent manner. Further studies using HepG2/2.2.1 cells transfected with CDK6 siRNA or expression vector demonstrated that CDK6 modulates expression of XIAP. Finally, treatment of HepG2/2.2.1 cells with combination of flavopiridol and embelin, as a XIAP specific inhibitor, could inhibit cell ... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5427537 Wed, 16 Nov 2011 18:00:01 +0100 5427537 http://www.medworm.com/index.php?rid=5427538&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F2265mkt6gv409116%2F Abstract  Ten prodrugs of dexibuprofen having ester and amide moieties instead of free carboxylic acid which involves in gastrointestinal side effects have been synthesized. Dexibuprofen acid chloride was condensed with different amino acid methyl ester hydrochlorides and five alcohols to afford the amide and ester prodrugs. All of the synthesized prodrugs were characterized by their mp, R f, elemental analysis, FTIR, 1H NMR, and 13C NMR spectroscopy. The in vitro hydrolysis studies in plasma reflect prodrugs have been varied in terms of reactivity toward hydrolysis, owing to the different chemical structures. In alkyl substitution the branched chain alkyl substituents or aromatic substituents resulted in enhanced lipophilicity but diminished dissolution and hydrolysis rate... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5427538 Wed, 16 Nov 2011 18:00:00 +0100 5427538 http://www.medworm.com/index.php?rid=5427540&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F70026xg3783106x1%2F Abstract  Some N-phenyl lipoamide and 8-mercapto-N-phenyloctanamide derivatives were synthesized and their in vitro antiproliferative activity was evaluated. The experimental results indicated that 8-mercapto-N-phenyloctanamides might be good histone deacetylase inhibitors rather than N-phenyl lipoamides, who had thiol moiety at C6 position. To verify the antiproliferation data on structural basis, in silico docking studies of the representative compounds into the crystal structure of histone deacetylase-like protein using AutoDock 4.0 program were performed. Furthermore, sulfur acetylated 8-mercapto-N-phenyloctanamide improved its in vitro antiproliferative activity, probably due to the increasing of its cell membrane permeability. While the identification of enzymatic targe... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5427540 Tue, 15 Nov 2011 16:48:59 +0100 5427540 http://www.medworm.com/index.php?rid=5427542&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F615j3432r3134238%2F Abstract  The article reports the synthesis of a series comprising of twenty-one 2,5-disubstituted-4-thiazolidinone derivatives, bearing 3-chloro-4-fluorophenyl imino, 4-chlorophenyl imino and 3-chlorophenyl imino groups at position-2 and substituted arylidene groups at position-5. The title compounds were obtained in high yields through Knoevenagel condensation and evaluated for antimicrobial activity against B. subtilis, S. aureus, P. aeruginosa, E. coli, and C. albicans. Success of the synthesis was confirmed through spectral analysis. The newly synthesized compounds exhibited promising antibacterial activity but no antifungal activity. SAR studies revealed that the presence of a fluoro group in addition to a chloro group had a marked influence on the antibacterial activi... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5427542 Tue, 15 Nov 2011 16:48:57 +0100 5427542 http://www.medworm.com/index.php?rid=5427541&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fe34rl7674l031660%2F In conclusion, this study indicated that EUK-8 and Euk-134 compounds improved the antioxidant status by reducing lipid peroxidation and enhancing the antioxidant enzymes activities in various tissues of diabetic rats. Content Type Journal ArticleCategory Original ResearchPages 1-9DOI 10.1007/s00044-011-9855-2Authors Seifollah Bahramikia, Institute of Biochemistry and Biophysics, University of Tehran, P.O. Box 13145-1384, Tehran, IranRazieh Yazdanparast, Institute of Biochemistry and Biophysics, University of Tehran, P.O. Box 13145-1384, Tehran, Iran Journal Medicinal Chemistry ResearchOnline ISSN 1554-8120Print ISSN 1054-2523 (Source: Medicinal Chemistry Research) Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5427541 Tue, 15 Nov 2011 16:48:57 +0100 5427541 http://www.medworm.com/index.php?rid=5427543&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F577lr32t421x4572%2F Abstract  A series of novel 6-alkyoxyl[1,2,4]triazolo[1,5-a]quinazoline derivatives were synthesized in this study. The anticonvulsant activity of all the target compounds 4a–4s, characterized by IR, 1H-NMR and MS, were evaluated using Maximal electroshock test. The pharmacological results showed that some of the compounds displayed positive anticonvulsant activity. Among them, 6-(benzyloxy)-[1,2,4]triazolo[1,5-a]quinazoline (4a) was the most active compound with an ED50 value of 78.9 mg/kg and a PI value of 9.0. Graphical abstract   Content Type Journal ArticleCategory Original ResearchPages 1-7DOI 10.1007/s00044-011-9875-yAuthors Chun-Bo Zhang, College of Pharmacy, Yanbian University, Yanji, Jili, 133002 People’s Republic of ChinaCh... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5427543 Tue, 15 Nov 2011 16:48:56 +0100 5427543 http://www.medworm.com/index.php?rid=5427546&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F41n80627782t5786%2F In this study, the interference of curcumin and its derivatives in the binding of NF-κB to DNA has been explored by in silico studies. Curcumin and its derivatives were docked on the p50 subunit of NF-κB and it was found that most of the compounds formed polar interactions with LYS-144 and LYS-241 which are the key residues involved in binding of NF-κB with DNA at the consensus sequence (κB site) through hydrogen bonding. Molecular docking studies and ADME predictions showed that curcumin sulphate can be a potent inhibitor of NF-κB p50 subunit amongst the natural curcumin derivatives and known inhibitors (aurine tricarboxylic acid, gallic acid, and ellagic acid) docked. Content Type Journal ArticleCategory Original ResearchPages 1-7DOI 10.1007/s00044-011-9873-0Authors Anil... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5427546 Tue, 15 Nov 2011 16:48:55 +0100 5427546 http://www.medworm.com/index.php?rid=5427545&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fcw12819577515q22%2F Abstract  Treatment of 2-naphthol with aldehydes and allyl tributyl stannane or anisole in the presence of AlCl3 at 0°C to room temperature afforded its 1-alkyl derivatives in high yields (76–83%) within 4–8 h. The products were evaluated for their cytotoxic activity against four human cancer cell lines. The most potent compound (5d) showed IC50 of 1.2 ± 1.1, 1.6 ± 1.0, 0.9 ± 0.1, and 0.8 ± 0.4 μM against Hep G2, A549, MDA 231, and HeLa cell lines, respectively, and its activity was found to be comparable to that of doxorubicin. Graphical abstract  A new multicomponent synthesis of 2-naphthol derivatives has been developed. The cytotoxic activity of one of the 2-naphthol derivatives (A:R = ... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5427545 Tue, 15 Nov 2011 16:48:55 +0100 5427545 http://www.medworm.com/index.php?rid=5427544&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fl123271233n75461%2F Abstract  A series of new phthalazine derivatives 3a–i and 4a–c were synthesized via the reaction of 1-chlorophthalazine derivative 2 with either N-substituted-piperazines, primary or their secondary amines. The structure of the synthesized, new compounds were characterized by spectral data. The anti-proliferative activity on human breast cancer cell line MCF-7 of the synthesized compounds was determined. The results showed that six of the test compounds (3a, 3g, 3i, and 4a–c) displayed potent cytotoxic activity ranging from 1.4 to 2.3 μmol. Content Type Journal ArticleCategory Original ResearchPages 1-6DOI 10.1007/s00044-011-9874-zAuthors Khaled A. M. Abouzid, Pharmaceutical Chemistry Department, Faculty of Pharmacy, Ain Shams University, Cairo, 11566, Egypt... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5427544 Tue, 15 Nov 2011 16:48:55 +0100 5427544 http://www.medworm.com/index.php?rid=5427548&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F385k678147474754%2F Abstract  A series of 1-{5-[5-(m,p-dichlorophenyl)furan-2-yl]-3-aryl-4,5-dihydro-1H-pyrazol-1-yl} ethanone (3a–k) have been synthesized by the condensation of (2E)-3-[5-(m,p-dichlorophenyl)furan-2-yl]-1-arylprop-2-en-1-one (2a–k) with hydrazine hydrate in glacial acetic acid. The synthesized compounds have been characterized on the basis of elemental analyses and spectral studies. All the synthesized products have been screened for their antibacterial, antifungal, and antitubercular activity. Content Type Journal ArticleCategory Original ResearchPages 1-7DOI 10.1007/s00044-011-9857-0Authors Dinesh Bhoot, Chemical Research Laboratory, Department of Chemistry, Saurashtra University, Rajkot, 360005 IndiaRanjan C. Khunt, Chemical Research Laboratory, Department of Chemis... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5427548 Tue, 15 Nov 2011 16:48:54 +0100 5427548 http://www.medworm.com/index.php?rid=5427547&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fb5r74437x8735q71%2F Abstract  A series of novel pyrazoline derivatives containing 4-morpholinophenyl moiety were synthesized to investigate their potential anti-inflammatory activity. The chemical structures of the compounds were elucidated by spectral data and element analyses. The test compounds in the series exhibited different levels of anti-inflammatory activities when compared with reference drug indomethacin. Content Type Journal ArticleCategory Original ResearchPages 1-6DOI 10.1007/s00044-011-9862-3Authors Omneya M. Khalil, Organic Chemistry Department, Faculty of Pharmacy, Cairo University, Cairo, 11562 Egypt Journal Medicinal Chemistry ResearchOnline ISSN 1554-8120Print ISSN 1054-2523 (Source: Medicinal Chemistry Research) Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5427547 Tue, 15 Nov 2011 16:48:54 +0100 5427547 http://www.medworm.com/index.php?rid=5427549&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fj162t80q630436w2%2F Abstract  Insulin-like growth factor-1 receptor (IGF1R) is one of receptor tyrosine kinase that plays a significant role in cancer and has been pursued as drug target for cancer therapy. Molecular docking and comparative molecular field analysis (CoMFA) studies were carried out on the series of substituted 4-amino-1H-pyrazolo[3,4-d]pyrimidines IGF1R inhibitors. The conformations of these inhibitors from docking results provided a reliable conformational alignment scheme for 3D QSAR model. Based on these conformations, significant CoMFA model was performed with a leave-one-out cross-validated q 2 of 0.590. The noncross-validated analysis revealed r 2 value of 0.941, F = 34.882, and an estimated standard error of 0.178 with four optimum components. The predictive ab... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5427549 Tue, 15 Nov 2011 16:48:52 +0100 5427549 http://www.medworm.com/index.php?rid=5427550&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fr0528155704323x7%2F Abstract  Quantitative relationships between molecular structures and bioactivities of a set of CCR5 inhibitor derivatives were discovered. We have demonstrated the detailed application of two efficient nonlinear methods, general regression and radial basis function neural networks, for evaluation of quantitative structure–activity relationships of the studied compounds. Components produced by principal component analysis were used as input of the developed nonlinear models. Comparison between predictability of PC-GRNNs and PC-RBFNNs indicated that later method has higher ability to predict the activity of the studied molecules. In order to design novel derivatives of inhibitors with high activity and low side effects, and because experimental and calculated activities of... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5427550 Tue, 15 Nov 2011 16:48:51 +0100 5427550 http://www.medworm.com/index.php?rid=5427551&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fq33063795w01m206%2F Abstract  In the present study, a new series of 3,6-disubstituted-1,2,4-triazolo-[3,4-b]-1,3,4-thiadiazoles (4aj) have been synthesized by condensing 3-substituted-4-amino-5-mercapto-1,2,4-triazoles (1a–b) with various 3-substituted-pyrazole-4-carboxylic acids (3a–e) in the presence of POCl3. The structures of newly synthesized compounds were characterized by elemental analysis, IR, 1H NMR, 13C NMR, and mass spectroscopic studies. Structure of the compound 4b was also confirmed by recording the single crystal X-ray structure. All the synthesized compounds were screened for their anti-inflammatory activities by carrageenan induced paw edema method. Anti-inflammatory screening indicated that, compounds 4d, 4e, and 4h were found to be biologically active whereas remaining comp... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5427551 Tue, 15 Nov 2011 16:48:50 +0100 5427551 http://www.medworm.com/index.php?rid=5416673&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fg22j15488063v21v%2F Abstract  New (Z)-5-substituted-2,4-thiazolidinediones (3a–m) were easily prepared by the condensation of thiazolidine-2,4-dione (1) with suitable aldehydes (2a–m) via microwave irradiation technique. The reaction between (Z)-5-substituted-2,4-thiazolidinediones and 4-(bromomethyl) benzoic acid, using potassium carbonate as base in refluxing acetone, followed by a workup in acidic medium provided 4-(((Z)-5-substituted-2,4-dioxothiazolidin-3-yl)methyl) benzoic acid derivatives (4a–m). The structures of the newly synthesized compounds were confirmed by IR, 1H NMR, 13C NMR spectral studies, and elemental analysis. All compounds were evaluated for their in vitro antimicrobial and cytotoxic activities. Antibacterial and antifungal results revealed that most of the compounds sh... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5416673 Sat, 12 Nov 2011 06:47:04 +0100 5416673 http://www.medworm.com/index.php?rid=5404348&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fvu303170t0g02242%2F Abstract  In this article, synthesis of a library of trisubstituted s-triazines, which, in addition to 4-amino-benzonitrile, contain 4-hydroxy-N-methylquinolin-2(1H)-one as well as substituted aliphatic amines condensed to C-6 position of s-triazinyl core is discussed. The newly synthesized analogues were then subjected to determine their efficacy against some bacterial and fungal strains as two gram-positive bacteria (Staphylococcus aureus MTCC 96 and Bacillus cereus MTCC 619), six gram-negative bacteria (Escherichia coli MTCC 739, Pseudomonas aeruginosa MTCC 741, Klebsiella pneumoniae MTCC 109, Salmonella typhi MTCC 733, Proteus vulgaris MTCC 1771, and Shigella flexneria MTCC 1457) and two fungal species (Aspergillus niger MTCC 282 and Candida albicans MTCC 183) with an intent... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5404348 Fri, 11 Nov 2011 16:43:44 +0100 5404348 http://www.medworm.com/index.php?rid=5404349&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fa94356g78611833l%2F Abstract  The present study was aimed at isolation of phytoconstituents from the seed kernel of Entada pursaetha DC. and screened for their wound healing activity by excision, incision, and dead space wound models on Swiss Albino Wistar rats. In correlation to in vitro wound healing activity, all phytoconstituents were subjected to molecular docking studies for the inhibition of glycogen synthase kinase 3-β (GSK3-β) protein, a main target for wound healing activity by Wnt signaling pathway. Among the phytoconstituents, entagenic acid showed good wound healing activity. In excision wound model, entagenic acid showed significant activity compared with other two phytoconstituents (Mean time of epithelialization in days is 18.08 ± 0.01); in incision wound model, it s... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5404349 Fri, 11 Nov 2011 16:43:41 +0100 5404349 http://www.medworm.com/index.php?rid=5404350&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F31388pvg67727531%2F Abstract  (E)-3-((5-phenyl-1,3,4-oxadiazol-2-ylimino)methyl)naphthalen-2-ol (LH) has been synthesized and used as a ligand for the formation of V(IV), Cr(III), Mn(II), Co(II), Ni(II), and Cu(II) complexes. The chemical structures were characterized using different spectroscopic methods. The elemental analyses revealed that the complexes have the general formula [ML2(H2O)2] [where M = Mn(II), Co(II), and Cu(II)], while the Cr(III) complex has the formula [CrL2(H2O)2]Cl, V(IV) complex has the formula [VO2L2], and Ni(II) complex has the formula [NiL2]. The molar conductance data revealed that all the metal chelates except the Cr(III) are non-electrolytes. From the magnetic susceptibility measurement and UV–Visible spectra, it is found that the structures of Cr(III), M... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5404350 Fri, 11 Nov 2011 12:48:09 +0100 5404350 http://www.medworm.com/index.php?rid=5404352&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fq5r45757jj073354%2F Abstract  A series of new pentabromobenzylisothioureas [ZKK-1–ZKK-5; (ZKKs)] carrying additional substituents on nitrogen atoms has been synthesized. The ZKKs were found to induce apoptosis in HL-60 (human promyleocytic leukemia) and K-562 (human chronic erythromyeloblastoid leukemia) cell lines in a concentration-dependent manner at low micromolar concentrations. ZKK-3 [(N,N′-dimethyl-S-2,3,4,5,6-pentabromobenzyl)isothiouronium bromide] showed the highest proapoptotic activity in HL-60 cells, whereas ZKK-2 [N-methyl-S-(2,3,4,5,6-pentabromobenzyl)isothiouronium bromide] was most effective in this respect in K-562 cells. During the ZKKs-induced apoptosis, an 85 kDa fragment of cleaved PARP (caspase-3 and caspase-7 substrate) was detected in both cell lines tested. The s... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5404352 Thu, 10 Nov 2011 16:53:25 +0100 5404352 http://www.medworm.com/index.php?rid=5404351&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F96l856h610222222%2F Abstract  A new microbial strain showing broad spectrum antibacterial and antifungal activity was isolate from soil of Chhattisgarh and characterized as Streptomyces rimosus MTCC 10792 (gene sequence similarity 99.52%). The antibacterial compound was produced by the isolate purified by silica gel chromatography and chemically characterized as oxytetracycline and production of the antibiotic was statistically optimized using response surface methodology. The three independent variables, namely concentrations of glucose (10 g/l), soybean meal (10 g/l), and calcium carbonate (1 g/l) were found to be the most important for production antibiotic by a one-factor-at-a-time study. For optimization, the individual and interaction effects of the studied variables were e... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5404351 Thu, 10 Nov 2011 16:53:25 +0100 5404351 http://www.medworm.com/index.php?rid=5404354&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F0734700285381487%2F Abstract  Synthesis and antimicrobial activity of a new series of 3-(5-sulfanyl-1,3,4-oxadiazol-2-yl)-2H-chromen-2-ones based on various substituted piperazines and piperidines incorporating a 1,3,5-triazine moiety are reported in this article. 3-{5-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-1,3,4-oxadiazol-2-yl}-2H-chromen-2-one 3 was obtained by the reaction of 2,4,6-trichloro-1,3,5-triazine 1 with 3-(5-sulfanyl-1,3,4-oxadiazol-2-yl)-2H-chromen-2-one 2 which was obtained by following the method reported in the literature. Intermediate 3 was then condensed with 8-hydroxyquinoline 4 to form 3-(5-{[4-chloro-6-(quinolin-4-yloxy)-1,3,5-triazin-2-yl]sulfanyl}-1,3,4-oxadiazol-2-yl)-2H-chromen-2-one 5. This was further treated with various substituted piperazines and piperidines to ... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5404354 Thu, 10 Nov 2011 16:53:24 +0100 5404354 http://www.medworm.com/index.php?rid=5404353&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F8121xg1285341v22%2F Abstract  Isatin (2,3-dioxindole) and its derivatives show a wide range of biological activities. In the present study, a series of Schiff and Mannich bases of isatin derivatives were prepared using 4-amino-5-benzyl-2,4-dihydro-3H-1,2,4-triazole-3-thione. The structures of these derivatives were characterized by IR, 1H NMR and elemental analysis. In vitro antimicrobial activities were evaluated by agar dilution method and the zone of inhibition values of these derivatives were compared with ciprofloxacin and fluconazole. Chloro and Bromo groups at fifth position of isatin broaden the spectrum of antibacterial activity against S. aures, P. aeruginoa, and E. coli, respectively. For the antifungal activity, the compound 6h showed equipotent activity against A. niger. The remainin... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5404353 Thu, 10 Nov 2011 16:53:24 +0100 5404353 http://www.medworm.com/index.php?rid=5404355&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Ff1r44675306vu772%2F Abstract  2D quantitative structure–activity relationships (2D QSAR) and hologram quantitative structure–activity relationship (HQSAR) studies were performed on a series of polysubstituted quinoline derivatives as inhibitors of phosphodiesterase 4 (PDE4). The dataset was divided into training set and test set by K-means clustering. 2D QSAR study was carried out using stepwise linear regression analysis, replacement method and enhanced replacement method. Statistically significant equations with high correlation coefficient (R 2 = 0.817) and low standard deviation (SD = 0.272) were obtained. The robustness of the models was confirmed with the help of leave one out cross validation (R cv2 = 0.740), Y scrambling (R 2 = 0.374), and ... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5404355 Thu, 10 Nov 2011 16:53:22 +0100 5404355 http://www.medworm.com/index.php?rid=5404356&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F7663n38183h07480%2F Abstract  The effect of a prenyl-baicalein derivative in the DNA synthesis of the estrogen-dependent ER (+) MCF-7 and the estrogen-independent ER (−) MDA-MB-231 cell lines was evaluated using both complete and steroid-free medium. The results revealed a biphasic effect in DNA synthesis of ER (+) MCF-7 cells. Moreover, this prenylflavone seemed to reduce the estrogenic effect of 17β-estradiol and to increase the antiestrogenic effect of 4-hydroxytamoxifen and fluvestrant on the ER (+) MCF-7 cells. Content Type Journal ArticleCategory Original ResearchPages 1-7DOI 10.1007/s00044-011-9848-1Authors Marta Perro Neves, Centro de Química Medicinal da Universidade do Porto (CEQUIMED-UP), Laboratório de Química Orgânica e Farmacêutica, Departamento de Ciências Químicas... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5404356 Thu, 10 Nov 2011 16:53:21 +0100 5404356 http://www.medworm.com/index.php?rid=5404359&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fd4w088q2u514jmu7%2F Abstract  Six halogenated alkaloids have been semi-synthesized from natural boldine as starting material. Their antioxidant activity toward reactive oxygen species (ROS) generation by neutrophils stimulated with N-formyl-methionyl-leucyl-phenylalanine and in the hypoxanthine–xanthine oxidase system was evaluated. Most of the alkaloids synthesized inhibited ROS generation in both systems in a concentration-dependent manner. The alkaloids with phenolic substituents displayed more powerful anti-oxidative activity than those containing methoxylated groups. None of the alkaloids assayed had any effect on xanthine oxidase activity. Therefore, halogenated phenanthrene alkaloids can become in promising candidates for the development of novel and potent anti-inflammatory drugs. ... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5404359 Thu, 10 Nov 2011 16:53:20 +0100 5404359 http://www.medworm.com/index.php?rid=5404358&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fw731n7m66830q143%2F Abstract  A series of novel ferrocenyl spiropyrolidines and pyrrolizidines have been synthesized through 1,3-dipolar cycloaddition reaction of azomethine ylide generated from amino acids and various 1,2-diketones with ferrocenyl Baylis–Hillman adducts as dipolarophiles. The synthesized cycloadducts were evaluated for antimicrobial activities. Compounds 12, 13, 14, and 18 showed relatively good antimicrobial activity. Content Type Journal ArticleCategory Original ResearchPages 1-7DOI 10.1007/s00044-011-9852-5Authors Subban Kathiravan, Department of Organic Chemistry, University of Madras, Guindy Campus, Chennai, 600 025 IndiaRaghavachary Raghunathan, Department of Organic Chemistry, University of Madras, Guindy Campus, Chennai, 600 025 IndiaGopalakrishnan Suresh, Depart... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5404358 Thu, 10 Nov 2011 16:53:20 +0100 5404358 http://www.medworm.com/index.php?rid=5404357&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fn0288n60345w8026%2F Abstract  6-Bromo-4-chloro-1-hydrazinobenzothieno[2,3-d] pyridazine (1) was selected as the starting material for the synthesis of some novel fused benzothienotriazolopyridazine derivatives 2–16. Thus, compound 1 was reacted with carbon disulfide, ethyl orthoformate, acetic anhydride, or 2-methoxybenzaldehyde followed by cyclization with bromine, to give the corresponding benzothienotriazolopyridazines 2–6. Nucleophilic substitution of the 6-chloro with piperidine, N-methyl piperazine, hydrazine hydrate, or potassium hydroxide afforded 6-substituted benzothieno[3,2-d][1,2,4]triazolo[4,3-b] pyridazines 7–16. The structures of the synthesized compounds were elucidated by elemental analysis and spectral data. All the newly synthesized compounds were subjected to evaluation f... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5404357 Thu, 10 Nov 2011 16:53:20 +0100 5404357 http://www.medworm.com/index.php?rid=5404360&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fv8kk6028864v8443%2F Abstract  A new series of benzophenone derivatives are reported with comparative less toxicity with qualifying pharmacokinetic profiles. They were synthesized by Fridel–Craft acylation and evaluated for their anti-inflammatory activity (against Tumor necrosis factor-alpha (TNF-α) and interleukin 6 (IL-6)) by LPS-induced cytokine production assay (phorbol myristate acetate stimulated human THP-1 cells in vitro). The screened compounds exhibited promising activity against IL-6 in a range of 63–82% at 10 μM concentration. Cytotoxicity was also determined by using CCK-8 cells at 10 μM. The synthesized benzophenone derivative 1c was not cytotoxic in CCK-8 cells up to the concentration of 100 μM and showed potent IL-6 inhibitory activity with IC50 of 0.19&nbs... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5404360 Thu, 10 Nov 2011 16:53:19 +0100 5404360 http://www.medworm.com/index.php?rid=5404361&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fl5w1562r653l17k4%2F Abstract  A series of new 4-(aryl/heteroaryl-2-ylmethyl)-6-phenyl-2-[3-(4-substituted piperazine-1-yl)propyl] pyridazin-3(2H)-one derivatives were synthesized. The structures of the compounds were confirmed by IR, 1H NMR, and mass spectral data. All the compounds were evaluated for their cytotoxicity toward five human cancer cell lines of different origins viz; HeLa (Cervical), SKBR3 (Breast), HCT116 (Colon), A375 (Skin) & H1299 (Lung) at different concentrations and the IC50 values were determined. HCT116 and HeLa are the most sensitive against the compounds studied. One of them displayed moderate cytotoxicity against SKBR3. Majority of the compounds exhibited good to moderate activity. Content Type Journal ArticleCategory Original ResearchPages 1-9DOI 10.1007/s00044-011... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5404361 Thu, 10 Nov 2011 16:53:18 +0100 5404361 http://www.medworm.com/index.php?rid=5404362&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fk102hq4j304j6883%2F In this study, we examined in vitro antibacterial, antifungal, antimalarial, and antileishmanial activities of secondary metabolites (1–8) isolated from the fungus Eurotium repens. All compounds showed mild to moderate antibacterial or antifungal or both activities except 7. The activity of compound 6 was the best of the group tested. The in vitro antimalarial evaluation of these compounds revealed that compounds 1–3, 5, and 6 showed antimalarial activities against both chloroquine-sensitive and chloroquine-resistant strains of Plasmodium falciparum with IC50 values in the range of 1.1–3.0 μg/ml without showing any cytotoxicity to the mammalian cells. Compound 5 displayed the highest antimalarial activity. Antileishmanial activity against Leishmania donovani promastigotes was ... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5404362 Thu, 10 Nov 2011 16:53:15 +0100 5404362 http://www.medworm.com/index.php?rid=5404363&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F4373k6v066211451%2F In this study, computational ligand docking methodology, AutoDock 4.0, based on Lamarckian genetic algorithm was employed for virtual screens of a compound library with 233 entries (Schiff’s bases of γ-amino butyric acid) for novel and selective inhibitors of the enzyme γ-amino butyrate aminotransferase (GABA-AT), a potential anticonvulsant drug target. Considering free energy of binding and inhibition constant (KI) as a criteria of evaluation, a total of 43 compounds were predicted to be potential inhibitors of GABA-AT and 11 compounds displayed greater binding affinities than γ-vinyl GABA, Vigabatrin, a well-known GABA-AT inhibitor. Compound SBG164, a dibenzylideneacetone analog; compound SBG195, a 1-methylanthraquinone analog; and compound SBG110, a fenchone analog were the mo... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5404363 Wed, 09 Nov 2011 07:04:16 +0100 5404363 http://www.medworm.com/index.php?rid=5404364&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fb803813213543g75%2F Abstract  A series of 2-alkoxyphenyl methanesulfonamide-based compounds were synthesised and evaluated for their anti-inflammatory activity in carrageenan-induced rat paw edema model. The compounds 4–7 showed comparable anti-inflammatory activity to rofecoxib and indomethacin, the standard drugs taken in both the studies. The synthesised compounds were also investigated for their gastric ulcerogenic potential and found to be non-ulcerogenic at the test doses. In silico (docking studies) were done to investigate the hypothetical binding mode of the target compounds to the cyclooxygenase isoenzyme (COX-2). A binding model has been proposed based on the docking studies to explain the observed pharmacological activity of the test compounds. Selected physicochemical parameters ... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5404364 Wed, 09 Nov 2011 07:04:15 +0100 5404364 http://www.medworm.com/index.php?rid=5404365&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F378j668n1g8303p3%2F Abstract  A series of N 1-{4-[(10S)-dihydroartemisinin-10-oxyl]}phenylmethylene-N 2-(2-methylquinoline-4-yl) hydrazine derivatives 9a–9n possessing 4-quinolylhydrazone and artemisinin cores were herein synthesized and evaluated for their activities against cysteine protease falcipain-2 of Plasmodium falciparum. The structures were clearly confirmed by elemental analysis, 1H NMR, and mass spectra. The pharmacological results indicated that all compounds showed excellent activity against recombinant falcipain-2 (IC50 = 0.15–2.28 μM). The best one of this series was compound 9d (IC50 = 0.15 μM). The molecular docking results showed that the compound 9d made close contact with the key active site of cysteine protease falcipain-2. Content T... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5404365 Wed, 09 Nov 2011 07:04:14 +0100 5404365 http://www.medworm.com/index.php?rid=5404366&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fe8x34644441755u1%2F Abstract  Quantitative structure–activity relationship (QSAR) studies were carried out on a series of 48 recently synthesised N 2-aryltriazolinone biphenyl sulphonamides derivatives to investigate the structural requirements of their inhibitory activities against angiotensin II AT1 receptor. Partial least square (PLS) methodology coupled with various feature selection methods, viz. stepwise (SW), genetic algorithm, and simulated annealing, was applied to derive QSAR models which were further validated for statistical significance and predictive ability by internal and external validation. The statistically significant best 2D-QSAR model having correlation coefficient r 2 = 0.8456 and cross-validated squared correlation coefficient q 2 = 0.7359 with ex... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5404366 Tue, 08 Nov 2011 19:13:19 +0100 5404366 http://www.medworm.com/index.php?rid=5404367&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2F68w0288791768348%2F Abstract  The chemical composition, antibacterial, and antifungal activities of the volatile fractions from fresh and dried leaves of three Olea europaea L. cultivars from Tunisia (Neb jemel, Chemchali and Chemlali) have been studied. The volatile components were obtained via hydrodistillation and analyzed by GC–MS. The major constituents were (E)-3-hexenol, 3-ethenylpyridine, (E)-β-damascenone and phenylethyl alcohol, but their percentages varied according to the treatment of the leaves. Antioxidant activities were determined applying DPPH and ABTS+ radical-scavenging assays. In general, antioxidant activity of the volatile fraction obtained from fresh leaves was superior to that obtained from dried leaves. The antibacterial and antifungal activities of the volatile fract... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5404367 Tue, 08 Nov 2011 19:13:18 +0100 5404367 http://www.medworm.com/index.php?rid=5404369&cid=s_33328_59_f&fid=33328&url=http%3A%2F%2Fwww.springerlink.com%2Fcontent%2Fv851272j47135169%2F In this study, a series of 7-chloro-3-(substituted benzylidene/phenyl ethylidene amino)-2-phenyl quinazolin-4(3H)-ones (1–10) were prepared and evaluated for antitubercular activity against Mycobacterium tuberculosis (MTB). The antitubercular screening results indicated that 7-chloro-3-(4-(dimethylamino)benzylidene amino)-2-phenylquinazolin-4(3H)-one (10) was the most potent one (MIC = 0.78 × 10−3 μM) and exhibited activity equivalent to the standard compound isoniazid (MIC = 0.80 × 10−3 μM). Further, the synthesized compounds were tested for their antibacterial activity against Gram positive and Gram negative bacteria. The comparison of antibacterial and antimycobacterial results indicated that different structural requirements ... Medicinal Chemistry Research journals http://www.medworm.com/rss/comments.php?id=5404369 Tue, 08 Nov 2011 19:13:16 +0100 5404369