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Total 1038 results found since Jan 2013.

Molecules, Vol. 25, Pages 5397: Lanostane Triterpenoid Metabolites from a Penares sp. Marine Sponge Protect Neuro-2a Cells against Paraquat Neurotoxicity
try L. Aminin The results of an investigation of the protective effects of five lanostane triterpenoids: 3β-acetoxy-7β,8β-epoxy-5α-lanost-24-en-30,9α-olide (1), 3β-hydroxy-7β,8β-epoxy-5α-lanost-24-en- 30,9α-olide (2), 29-nor-penasterone (3), penasterone (4), and acetylpenasterol (5), from a marine sponge, Penares sp., against paraquat-induced neuroblastoma Neuro-2a cell damage, are described. The influence of all compounds on viability of the Neuro-2a cells treated with paraquat (PQ) was...
Source: Molecules - November 18, 2020 Category: Chemistry Authors: Ekaterina A. Yurchenko Sophia A. Kolesnikova Ekaterina G. Lyakhova Ekaterina S. Menchinskaya Evgeny A. Pislyagin Ekaterina A. Chingizova Dmitry L. Aminin Tags: Article Source Type: research

Molecules, Vol. 23, Pages 2920: Mitigation Effects of a Novel Herbal Medicine, Hepad, on Neuroinflammation, Neuroapoptosis, and Neuro-Oxidation
This study also showed that the neuroprotective effects of Hepad include anti-inflammatory, anti-apoptotic, and anti-oxidative properties, in addition to activation of the protein kinase B, extracellular-signal-regulated kinase, and c-Jun N-terminal kinase signaling pathways. Furthermore, oral administration of Hepad 1 and 2 attenuated the death of tyrosine hydroxylase-positive substantia nigra neurons that was induced by 20 mg/kg MPTP. Therefore, our results suggest that Hepad 1 and 2 are useful for treating PD and other disorders associated with neuro-inflammatory, neuro-apoptotic, and neuro-oxidative damage.
Source: Molecules - November 8, 2018 Category: Chemistry Authors: Da Hye Song Gyeong-Ji Kim Kwon Jai Lee Jae Soo Shin Dong-Hee Kim Byung-Jun Park Jeung Hee An Tags: Article Source Type: research

Molecules, Vol. 26, Pages 3618: Cytoprotective Activity of p-Terphenyl Polyketides and Flavuside B from Marine-Derived Fungi against Oxidative Stress in Neuro-2a Cells
ry V. Mikhailov The influence of p-terphenyl polyketides 1–3 from Aspergillus candidus KMM 4676 and cerebroside flavuside B (4) from Penicillium islandicum (=Talaromyces islandicus) against the effect of neurotoxins, rotenone and paraquat, on Neuro-2a cell viability by MTT and LDH release assays and intracellular ROS level, as well as DPPH radical scavenging activity, was investigated. Pre-incubation with compounds significantly diminished the ROS level in rotenone- and paraquat-treated cells. It was shown that the investigated polyketides 1–3 significantly increased the viability of rotenone- and paraquat-treated ...
Source: Molecules - June 13, 2021 Category: Chemistry Authors: Ekaterina A. Yurchenko Ekaterina S. Menchinskaya Evgeny A. Pislyagin Ekaterina A. Chingizova Elena V. Girich Anton N. Yurchenko Dmitry L. Aminin Valery V. Mikhailov Tags: Brief Report Source Type: research

Molecules, Vol. 25, Pages 925: Amyloidogenic Peptides in Human Neuro-Degenerative Diseases and in Microorganisms: A Sorrow Shared Is a Sorrow Halved?
s The term “amyloid” refers to proteinaceous deposits of peptides that might be generated from larger precursor proteins e.g., by proteolysis. Common to these peptides is a stable cross-β dominated secondary structure which allows self-assembly, leading to insoluble oligomers and lastly to fibrils. These highly ordered protein aggregates have been, for a long time, mainly associated with human neurodegenerative diseases such as Alzheimer’s disease (Amyloid-β peptides). However, they also exert physiological functions such as in release of deposited hor...
Source: Molecules - February 18, 2020 Category: Chemistry Authors: Kristina Endres Tags: Review Source Type: research

Molecules, Vol. 26, Pages 3389: Therapeutic Attributes of Endocannabinoid System against Neuro-Inflammatory Autoimmune Disorders
bal Qingyou Liu In humans, various sites like cannabinoid receptors (CBR) having a binding affinity with cannabinoids are distributed on the surface of different cell types, where endocannabinoids (ECs) and derivatives of fatty acid can bind. The binding of these substance(s) triggers the activation of specific receptors required for various physiological functions, including pain sensation, memory, and appetite. The ECs and CBR perform multiple functions via the cannabinoid receptor 1 (CB1); cannabinoid receptor 2 (CB2), having a key effect in restraining neurotransmitters and the arrangement of cytokines. The role ...
Source: Molecules - June 3, 2021 Category: Chemistry Authors: Ishtiaq Ahmed Saif Ur Rehman Shiva Shahmohamadnejad Muhammad Anjum Zia Muhammad Ahmad Muhammad Muzammal Saeed Zain Akram Hafiz M. N. Iqbal Qingyou Liu Tags: Review Source Type: research

Molecules, Vol. 27, Pages 4888: Psycho-Neuro-Endocrine-Immunology: A Role for Melatonin in This New Paradigm
amirez-Jirano Psychoneuroendocrinoimmunology is the area of study of the intimate relationship between immune, physical, emotional, and psychological aspects. This new way of studying the human body and its diseases was initiated in the last century’s first decades. However, the molecules that participate in the communication between the immune, endocrine, and neurological systems are still being discovered. This paper aims to describe the development of psychoneuroendocrinoimmunology, its scopes, limitations in actual medicine, and the extent of melatonin within it.
Source: Molecules - July 30, 2022 Category: Chemistry Authors: Oscar K. Bitzer-Quintero Genaro G. Ortiz Socorro Jaramillo-Bueno Elsy J. Ramos-Gonz ález Mar ía G. Márquez-Rosales Daniela L. C. Delgado-Lara Erandis D. Torres-S ánchez Aldo R. Tejeda-Mart ínez Javier Ramirez-Jirano Tags: Review Source Type: research

Molecules, Vol. 23, Pages 2106: Mechanisms of Protein Search for Targets on DNA: Theoretical Insights
eisky Protein-DNA interactions are critical for the successful functioning of all natural systems. The key role in these interactions is played by processes of protein search for specific sites on DNA. Although it has been studied for many years, only recently microscopic aspects of these processes became more clear. In this work, we present a review on current theoretical understanding of the molecular mechanisms of the protein target search. A comprehensive discrete-state stochastic method to explain the dynamics of the protein search phenomena is introduced and explained. Our theoretical approach utilizes a first-pa...
Source: Molecules - August 22, 2018 Category: Chemistry Authors: Alexey A. Shvets Maria P. Kochugaeva Anatoly B. Kolomeisky Tags: Review Source Type: research

Molecules, Vol. 26, Pages 7149: SugarDrawer: A Web-Based Database Search Tool with Editing Glycan Structures
Yamada In life science fields, database integration is progressing and contributing to collaboration between different research fields, including the glycosciences. The integration of glycan databases has greatly progressed collaboration worldwide with the development of the international glycan structure repository, GlyTouCan. This trend has increased the need for a tool by which researchers in various fields can easily search glycan structures from integrated databases. We have developed a web-based glycan structure search tool, SugarDrawer, which supports the depiction of glycans including ambiguity, such as glyca...
Source: Molecules - November 25, 2021 Category: Chemistry Authors: Tsuchiya Matsubara Aoki-Kinoshita Yamada Tags: Technical Note Source Type: research

Molecules, Vol. 24, Pages 1150: Investigating the Formation of Structural Elements in Proteins Using Local Sequence-Dependent Information and a Heuristic Search Algorithm
tés Structural elements inserted in proteins are essential to define folding/unfolding mechanisms and partner recognition events governing signaling processes in living organisms. Here, we present an original approach to model the folding mechanism of these structural elements. Our approach is based on the exploitation of local, sequence-dependent structural information encoded in a database of three-residue fragments extracted from a large set of high-resolution experimentally determined protein structures. The computation of conformational transitions leading to the formation of the structural elements is formulated...
Source: Molecules - March 21, 2019 Category: Chemistry Authors: Alejandro Esta ña Malik Ghallab Pau Bernad ó Juan Cort és Tags: Article Source Type: research

Molecules, Vol. 24, Pages 2233: Accelerating Drug Discovery by Early Protein Drug Target Prediction Based on a Multi-Fingerprint Similarity Search
This study demonstrates that the use of highly curated chemical and biological experimental data on one side, and a powerful multi-fingerprint search algorithm on the other, can be of the utmost importance in addressing the fate of newly conceived small molecules, by strongly reducing the attrition of early phases of drug discovery programs.
Source: Molecules - June 13, 2019 Category: Chemistry Authors: Montaruli Alberga Ciriaco Trisciuzzi Tondo Mangiatordi Nicolotti Tags: Article Source Type: research

Molecules, Vol. 26, Pages 5593: Rapid Identification of Potential Drug Candidates from Multi-Million Compounds ’ Repositories. Combination of 2D Similarity Search with 3D Ligand/Structure Based Methods and In Vitro Screening
Molecules, Vol. 26, Pages 5593: Rapid Identification of Potential Drug Candidates from Multi-Million Compounds’ Repositories. Combination of 2D Similarity Search with 3D Ligand/Structure Based Methods and In Vitro Screening Molecules doi: 10.3390/molecules26185593 Authors: Katalin Szilágyi Beáta Flachner István Hajdú Mária Szaszkó Krisztina Dobi Zsolt Lőrincz Sándor Cseh György Dormán Rapid in silico selection of target focused libraries from commercial repositories is an attractive and cost-effective approach in early drug discovery. If structures of active compounds are available, rapid ...
Source: Molecules - September 15, 2021 Category: Chemistry Authors: Katalin Szil ágyi Be áta Flachner Istv án Hajdú M ária Szaszkó Krisztina Dobi Zsolt L őrincz S ándor Cseh Gy örgy Dormán Tags: Article Source Type: research

Molecules, Vol. 26, Pages 7201: Greedy 3-Point Search (G3PS) & mdash;A Novel Algorithm for Pharmacophore Alignment
Molecules, Vol. 26, Pages 7201: Greedy 3-Point Search (G3PS)—A Novel Algorithm for Pharmacophore Alignment Molecules doi: 10.3390/molecules26237201 Authors: Christian Permann Thomas Seidel Thierry Langer Chemical features of small molecules can be abstracted to 3D pharmacophore models, which are easy to generate, interpret, and adapt by medicinal chemists. Three-dimensional pharmacophores can be used to efficiently match and align molecules according to their chemical feature pattern, which facilitates the virtual screening of even large compound databases. Existing alignment methods, used in computat...
Source: Molecules - November 27, 2021 Category: Chemistry Authors: Christian Permann Thomas Seidel Thierry Langer Tags: Article Source Type: research

Molecules, Vol. 23, Pages 567: Identification and Characterizations of Novel, Selective Histone Methyltransferase SET7 Inhibitors by Scaffold Hopping- and 2D-Molecular Fingerprint-Based Similarity Search
heng Luo Kai Chen SET7, serving as the only histone methyltransferase that monomethylates ‘Lys-4’ of histone H3, has been proved to function as a key regulator in diverse biological processes, such as cell proliferation, transcriptional network regulation in embryonic stem cell, cell cycle control, protein stability, heart morphogenesis and development. What′s more, SET7 is involved inthe pathogenesis of alopecia aerate, breast cancer, tumor and cancer progression, atherosclerosis in human carotid plaques, chronic renal diseases, diabetes, obesity, ovarian cancer, prostate cancer, hepatocellular carcinoma, and ...
Source: Molecules - March 2, 2018 Category: Chemistry Authors: Hong Ding Wen Lu Jun Hu Yu-Chih Liu Chen Zhang Fu Lian Nai Zhang Fan Meng Cheng Luo Kai Chen Tags: Article Source Type: research

Molecules, Vol. 23, Pages 1876: Be Aware of Aggregators in the Search for Potential Human ecto-5 ′-Nucleotidase Inhibitors
Molecules, Vol. 23, Pages 1876: Be Aware of Aggregators in the Search for Potential Human ecto-5′-Nucleotidase Inhibitors Molecules doi: 10.3390/molecules23081876 Authors: Lucas G. Viviani Erika Piccirillo Arquimedes Cheffer Leandro de Rezende Henning Ulrich Ana Maria Carmona-Ribeiro Antonia T.-do Amaral Promiscuous inhibition due to aggregate formation has been recognized as a major concern in drug discovery campaigns. Here, we report some aggregators identified in a virtual screening (VS) protocol to search for inhibitors of human ecto-5′-nucleotidase (ecto-5′-NT/CD73), a...
Source: Molecules - July 27, 2018 Category: Chemistry Authors: Lucas G. Viviani Erika Piccirillo Arquimedes Cheffer Leandro de Rezende Henning Ulrich Ana Maria Carmona-Ribeiro Antonia T.-do Amaral Tags: Article Source Type: research

Molecules, Vol. 24, Pages 897: Insecticidal and Nematicidal Contributions of Mexican Flora in the Search for Safer Biopesticides
lo Plant metabolites have been used for many years to control pests in animals and to protect crops. Here, we reviewed the available literature, looking for the species of Mexican flora for which extracts and metabolites have shown activity against pest insects and parasitic nematodes of agricultural importance, as well as against nematodes that parasitize domestic cattle. From 1996 to 2018, the search for novel and eco-friendly biopesticides has resulted in the identification of 114 species belonging to 36 botanical families of Mexican plants with reported biological effects on 20 insect species and seven nematode spe...
Source: Molecules - March 3, 2019 Category: Chemistry Authors: Beatriz Hern ández-Carlos Marcela Gamboa-Angulo Tags: Review Source Type: research