Structural insight into TNF-α inhibitors through combining pharmacophore-based virtual screening and molecular dynamic simulation
Author:
Affiliation:
1. Dr. Panjwani Center for Molecular Medicine and Drug Research, ICCBS, University of Karachi, Karachi, Pakistan
2. Department of Mathematics, Aston University, Birmingham, United Kingdom
Publisher
Informa UK Limited
Subject
Molecular Biology,General Medicine,Structural Biology
Link
https://www.tandfonline.com/doi/pdf/10.1080/07391102.2020.1796794
Reference95 articles.
1. GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers
2. Anti-TNF Therapy in Crohn’s Disease
3. α-Glucosidase inhibitory effect of rhinacanthins-rich extract from Rhinacanthus nasutus leaf and synergistic effect in combination with acarbose
4. Rationally Designed Less Toxic SPD-304 Analogs and Preliminary Evaluation of Their TNF Inhibitory Effects
5. PAINS: Relevance to Tool Compound Discovery and Fragment-Based Screening
Cited by 5 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. Tumor necrosis factor receptor–associated protein 1 (TRAP1) inhibitors;Current Molecular Targets of Heterocyclic Compounds for Cancer Therapy;2024
2. Potential Utilization of Phenolic Acid Compounds as Anti-Inflammatory Agents through TNF-α Convertase Inhibition Mechanisms: A Network Pharmacology, Docking, and Molecular Dynamics Approach;ACS Omega;2023-11-29
3. Discovery of novel VEGFR2-TK inhibitors by phthalimide pharmacophore based virtual screening, molecular docking, MD simulation and DFT;Journal of Biomolecular Structure and Dynamics;2023-02-12
4. Computational analysis to investigate the anti-rheumatic potential of plant-based small molecule inhibitor targeting tumor necrosis factor α;Frontiers in Pharmacology;2023-02-07
5. Carotenoids as potential inhibitors of TNFα in COVID-19 treatment;PLOS ONE;2022-12-27
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