Identification of novel flavonoid inhibitor of Catechol-O-Methyltransferase enzyme by molecular screening, quantum mechanics/molecular mechanics and molecular dynamics simulations
Author:
Affiliation:
1. Laboratory of Biocrystallography and Computational Molecular Biology, Department of Physics, Periyar University, Salem, India
Publisher
Informa UK Limited
Subject
Molecular Biology,General Medicine,Structural Biology
Link
https://www.tandfonline.com/doi/pdf/10.1080/07391102.2019.1699446
Reference59 articles.
1. Clearance of p16Ink4a-positive senescent cells delays ageing-associated disorders
2. Molecular dynamics with coupling to an external bath
3. Molecular dynamics---Scalable algorithms for molecular dynamics simulations on commodity clusters
4. The Development of Computational Chemistry in Canada
5. A catalytic triad – Lys-Asn-Asp – Is essential for the catalysis of the methyl transfer in plant cation-dependent O-methyltransferases
Cited by 8 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献
1. QSAR, molecular docking, and dynamics-based computational discovery of potential PLK4 inhibitors for tumor therapy;Process Biochemistry;2024-11
2. Synthesis and characterization of chemical engineered PLGA nanosphere: Triggering mechanism of Catechol-O-methyltransferase inhibition on in vivo neurodegeneration;Bioorganic Chemistry;2023-10
3. Revealing the formation mechanism of epigallocatechin–5-hydroxymethylfurfural complexes by molecular simulation combined with spectroscopy techniques;Journal of Food Measurement and Characterization;2023-03-01
4. In Silico Molecular Docking Analysis of Karanjin against Alzheimer’s and Parkinson’s Diseases as a Potential Natural Lead Molecule for New Drug Design, Development and Therapy;Molecules;2022-04-29
5. The Formation Mechanism of Epigallocatechin - 5-Hydroxymethylfurfural C Omplex Es By Molecular Simulation Combined with S Pectroscopy Techniques;SSRN Electronic Journal;2022
1.学者识别学者识别
2.学术分析学术分析
3.人才评估人才评估
"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370
www.globalauthorid.com
TOP
Copyright © 2019-2024 北京同舟云网络信息技术有限公司 京公网安备11010802033243号 京ICP备18003416号-3