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Total 1038 results found since Jan 2013.

Molecules, Vol. 28, Pages 215: Clove Essential Oil and Its Main Constituent, Eugenol, as Potential Natural Antifungals against Candida spp. Alone or in Combination with Other Antimycotics Due to Synergistic Interactions
This study confirms that the studied compounds appear to be a very promising group of phytopharmaceuticals used topically in the treatment of superficial candidiasis. However, this requires further studies in vivo.
Source: Molecules - December 26, 2022 Category: Chemistry Authors: Anna Biernasiuk Tomasz Baj Anna Malm Tags: Article Source Type: research

Molecules, Vol. 28, Pages 191: Inspection on the Mechanism of SARS-CoV-2 Inhibition by Penciclovir: A Molecular Dynamic Study
lleschi In recent years, humanity has had to face a critical pandemic due to SARS-CoV-2. In the rapid search for effective drugs against this RNA-positive virus, the repurposing of already existing nucleotide/nucleoside analogs able to stop RNA replication by inhibiting the RNA-dependent RNA polymerase enzyme has been evaluated. In this process, a valid contribution has been the use of in silico experiments, which allow for a rapid evaluation of the possible effectiveness of the proposed drugs. Here we propose a molecular dynamic study to provide insight into the inhibition mechanism of Penciclovir, a nucleotide analog...
Source: Molecules - December 26, 2022 Category: Chemistry Authors: Micaela Giannetti Claudia Mazzuca Giorgio Ripani Antonio Palleschi Tags: Article Source Type: research

Molecules, Vol. 28, Pages 183: Theoretical Investigation of Geometries and Bonding of Indium Hydrides in the In2Hx and In3Hy (x = 0 & ndash;4,6; y = 0 & ndash;5) Series
Molecules, Vol. 28, Pages 183: Theoretical Investigation of Geometries and Bonding of Indium Hydrides in the In2Hx and In3Hy (x = 0–4,6; y = 0–5) Series Molecules doi: 10.3390/molecules28010183 Authors: Anton S. Pozdeev Pavel Rublev Steve Scheiner Alexander I. Boldyrev Boron hydrides have been an object of intensive theoretical and experimental investigation for many decades due to their unusual and somewhat unique bonding patterns. Despite boron being a neighboring element to carbon, boron hydrides almost always form non-classical structures with multi-center bonds. However, we expect ind...
Source: Molecules - December 26, 2022 Category: Chemistry Authors: Anton S. Pozdeev Pavel Rublev Steve Scheiner Alexander I. Boldyrev Tags: Article Source Type: research

Molecules, Vol. 28, Pages 130: The Cytotoxic and Inhibitory Effects of Plant Derivatives on Candida albicans Biofilms: A Scoping Review
In this study, PRISMA items were followed. After recognition of the inclusion criteria, full texts were read and disagreements were resolved with a third party. A risk of bias assessment was performed, and information was summarized using Microsoft Office Excel. Thirty-nine papers fulfilling the selection criteria were included. The risk of bias analysis identified most of the studies as low risk. Studies evaluated plant derivatives such as extracts, essential oils, terpenes, alkaloids, flavonoids and polyphenols. Some studies evaluated the inhibition of C. albicans biofilm formation, inhibition on preformed biofilms or bo...
Source: Molecules - December 23, 2022 Category: Chemistry Authors: Manuela Loaiza-Oliva Laura Arias-Durango Mar ía Cecilia Martínez-Pabón Tags: Review Source Type: research

Molecules, Vol. 28, Pages 126: In Vitro Evaluation of & alpha;-amylase and & alpha;-glucosidase Inhibition of 2,3-Epoxyprocyanidin C1 and Other Constituents from Pterocarpus erinaceus Poir
Molecules, Vol. 28, Pages 126: In Vitro Evaluation of α-amylase and α-glucosidase Inhibition of 2,3-Epoxyprocyanidin C1 and Other Constituents from Pterocarpus erinaceus Poir Molecules doi: 10.3390/molecules28010126 Authors: Romeo Toko Feunaing Alfred Ngenge Tamfu Abel Joel Yaya Gbaweng Larissa Mekontso Magnibou Fidele Ntchapda Celine Henoumont Sophie Laurent Emmanuel Talla Rodica Mihaela Dinica Diabetes mellitus is a metabolic disorder which is one of the leading causes of mortality and morbidities in elderly humans. Chronic diabetes can lead to kidney failure, blindness, limb a...
Source: Molecules - December 23, 2022 Category: Chemistry Authors: Romeo Toko Feunaing Alfred Ngenge Tamfu Abel Joel Yaya Gbaweng Larissa Mekontso Magnibou Fidele Ntchapda Celine Henoumont Sophie Laurent Emmanuel Talla Rodica Mihaela Dinica Tags: Article Source Type: research

Molecules, Vol. 28, Pages 123: The Use of Flavylium Salts as Dynamic Inhibitor Moieties for Human Cb5R
This study aims to provide insights into the molecular mechanism of interaction between flavonoids and Cb5R using flavylium salts as dynamic inhibitors. The outcome of this study might lead to the design of improved specific enzyme inhibitors in the future.
Source: Molecules - December 23, 2022 Category: Chemistry Authors: Oscar H. Mart ínez-Costa Laura Rodrigues-Miranda Sofia M. Clemente Ant ónio Jorge Parola Nuno Basilio Alejandro K. Samhan-Arias Tags: Article Source Type: research

Molecules, Vol. 27, Pages 9036: Genome-Wide Identification and Characterization of TCP Gene Family Members in Melastoma candidum
In this study, we used the HMMER search method in conjunction with the BLASTp method to identify the members of the TCP gene family, and a total of 35 TCP genes were identified. A domain analysis further confirmed that all 35 TCPs contained a TCP superfamily, a characteristic involved in dimerization and DNA binding that can be found in most genes from this gene family, suggesting that our identification was effective. As a result of the domain conservation analysis, the 35 TCP genes could be classified into two classes, TCP-P and TCP-C, based on the conservative regions of 55 and 59 amino acids, respectively. Gene-duplica...
Source: Molecules - December 18, 2022 Category: Chemistry Authors: Hui Li Xiaoxia Wen Xiong Huang Mingke Wei Hongpeng Chen Yixun Yu Seping Dai Tags: Article Source Type: research

Molecules, Vol. 27, Pages 9009: The Potential Role of Fisetin, a Flavonoid in Cancer Prevention and Treatment
lmatroodi Cancer is a main culprit and the second-leading cause of death worldwide. The current mode of treatment strategies including surgery with chemotherapy and radiation therapy may be effective, but cancer is still considered a major cause of death. Plant-derived products or their purified bioactive compounds have confirmed health-promoting effects as well as cancer-preventive effects. Among these products, flavonoids belong to polyphenols, chiefly found in fruits, vegetables and in various seeds/flowers. It has been considered to be an effective antioxidant, anti-inflammatory and to play a vital role in diseases...
Source: Molecules - December 17, 2022 Category: Chemistry Authors: Arshad Husain Rahmani Ahmad Almatroudi Khaled S. Allemailem Amjad Ali Khan Saleh A. Almatroodi Tags: Review Source Type: research

Molecules, Vol. 27, Pages 9011: Screening and Structure & ndash;Activity Relationship for Selective and Potent Anti-Melanogenesis Agents Derived from Species of Mulberry (Genus Morus)
Molecules, Vol. 27, Pages 9011: Screening and Structure–Activity Relationship for Selective and Potent Anti-Melanogenesis Agents Derived from Species of Mulberry (Genus Morus) Molecules doi: 10.3390/molecules27249011 Authors: Anna Gryn-Rynko Beata Sperkowska Michał S. Majewski Tyrosinase is a multifunctional, copper-containing and rate-limiting oxidase that catalyses crucial steps in the melanogenesis pathway and is responsible for skin-pigmentation abnormalities in mammals. Numerous tyrosinase inhibitors derived from natural and synthetic sources have been identified as an objective for the developm...
Source: Molecules - December 17, 2022 Category: Chemistry Authors: Anna Gryn-Rynko Beata Sperkowska Micha ł S. Majewski Tags: Review Source Type: research

Molecules, Vol. 27, Pages 9006: Deep Eutectic Solvents as Catalysts for Cyclic Carbonates Synthesis from CO2 and Epoxides
ak In recent years, the chemical industry has put emphasis on designing or modifying chemical processes that would increasingly meet the requirements of the adopted proecological sustainable development strategy and the principles of green chemistry. The development of cyclic carbonate synthesis from CO2 and epoxides undoubtedly follows this trend. First, it represents a significant improvement over the older glycol phosgenation method. Second, it uses renewable and naturally abundant carbon dioxide as a raw material. Third, the process is most often solvent-free. However, due to the low reactivity of carbon dioxide, t...
Source: Molecules - December 17, 2022 Category: Chemistry Authors: Dorota Ma ńka Agnieszka Siewniak Tags: Review Source Type: research

Molecules, Vol. 27, Pages 9003: Anxiolytic and Antioxidant Effect of Phytoecdysteroids and Polyphenols from Chenopodium Quinoa on an In Vivo Restraint Stress Model
r K. Mazo The variety of stressful conditions in daily human activity requires nutritional support with safe, specialized food products containing functional food ingredients (FFIs) enriched with biologically active plant substances with proven adaptogenic properties. In this in vivo study, by evaluating a set of physiological parameters and biochemical markers, we investigated the effectiveness of the developed FFIs from Chenopodium quinoa grains in stress conditions induced by daily episodes of immobilization for 36 days. The results of the evaluation of the anxiety-like functions, locomotor, and search activity of r...
Source: Molecules - December 17, 2022 Category: Chemistry Authors: Yuliya S. Sidorova Vladimir A. Shipelin Nikita A. Petrov Sergey N. Zorin Vladimir K. Mazo Tags: Article Source Type: research

Molecules, Vol. 27, Pages 8938: The Development of Pharmacophore Models for the Search of New Natural Inhibitors of SARS-CoV-2 Spike RBD & ndash;ACE2 Binding Interface
Molecules, Vol. 27, Pages 8938: The Development of Pharmacophore Models for the Search of New Natural Inhibitors of SARS-CoV-2 Spike RBD–ACE2 Binding Interface Molecules doi: 10.3390/molecules27248938 Authors: Semenov Krivdin To date, some succeeding variants of SARS-CoV-2 have become more contagious. This virus is known to enter human cells by binding the receptor-binding domain (RBD) of spike protein with the angiotensin-converting enzyme 2 (ACE2), the latter being a membrane protein that regulates the renin–angiotensin system. Since the host cell receptor plays a critical role in vira...
Source: Molecules - December 15, 2022 Category: Chemistry Authors: Semenov Krivdin Tags: Article Source Type: research

Molecules, Vol. 27, Pages 8901: Quinoxalinones as a Novel Inhibitor Scaffold for EGFR (L858R/T790M/C797S) Tyrosine Kinase: Molecular Docking, Biological Evaluations, and Computational Insights
grotmongkol Combating acquired drug resistance of EGFR tyrosine kinase (TK) is a great challenge and an urgent necessity in the management of non-small cell lung cancers. The advanced EGFR (L858R/T790M/C797S) triple mutation has been recently reported, and there have been no specific drugs approved for this strain. Therefore, our research aimed to search for effective agents that could impede the function of EGFR (L858R/T790M/C797S) TK by the integration of in silico and in vitro approaches. Our in-house quinoxalinone-containing compounds were screened through molecular docking and their biological activity was then ve...
Source: Molecules - December 14, 2022 Category: Chemistry Authors: Utid Suriya Panupong Mahalapbutr Watchara Wimonson Sirilata Yotphan Kiattawee Choowongkomon Thanyada Rungrotmongkol Tags: Article Source Type: research

Molecules, Vol. 27, Pages 8806: Food Peptides, Gut Microbiota Modulation, and Antihypertensive Effects
sopmo The gut microbiota is increasingly important in the overall human health and as such, it is a target in the search of novel strategies for the management of metabolic disorders including blood pressure, and cardiovascular diseases. The link between microbiota and hypertension is complex and this review is intended to provide an overview of the mechanism including the production of postbiotics, mitigation of inflammation, and the integration of food biological molecules within this complex system. The focus is on hydrolyzed food proteins and peptides which are less commonly investigated for prebiotic properties. T...
Source: Molecules - December 12, 2022 Category: Chemistry Authors: Patrick Blondin Tsafack Chen Li Apollinaire Tsopmo Tags: Review Source Type: research

Molecules, Vol. 27, Pages 8827: Bioactivity Guided Study for the Isolation and Identification of Antidiabetic Compounds from Edible Seaweed & mdash;Ulva reticulata
In this study, Ulva reticulata extracts were investigated for their anti-diabetic effect by examining its inhibitory effects on α-amylase, α-glucosidase, and DPP-IV and antioxidant (DPPH) potential in vitro and its purified fraction using animal models. Among the various solvents used, the Methanolic extract of Ulva reticulata (MEUR) displayed the highest antidiabetic activity in both in vitro and in vivo; it showed no cytotoxicity and hence was subjected to bioassay-guided chromatographic separation. Among the seven isolated fractions (F1 to F7), the F4 (chloroform) fraction exhibited substanti...
Source: Molecules - December 12, 2022 Category: Chemistry Authors: Pullikaparambil Sasidharan Unnikrishnan Andhere Animish Gunabalan Madhumitha Krishnamurthy Suthindhiran Mangalam Achuthananthan Jayasri Tags: Article Source Type: research