Design of novel DABO derivatives as HIV-1 RT inhibitors using molecular docking, molecular dynamics simulations and ADMET properties
Author:
Affiliation:
1. Department of Chemistry, University of Shanghai for Science and Technology, Shanghai, P. R. China
2. School of Chemical and Environmental Engineering, Shanghai Institute of Technology, Shanghai, P. R. China
Funder
National Natural Science Foundation of China
Shanghai Municipal Education Commission
the open project program of Hubei Key Laboratory of Drug Synthesis and Optimization, Jing Chu University of Technology
Publisher
Informa UK Limited
Subject
Molecular Biology,General Medicine,Structural Biology
Link
https://www.tandfonline.com/doi/pdf/10.1080/07391102.2023.2219331
Reference56 articles.
1. Partial Least Squares Methods: Partial Least Squares Correlation and Partial Least Square Regression
2. Highly specific inhibition of human immunodeficiency virus type 1 by a novel 6-substituted acyclouridine derivative
3. GROMACS: A message-passing parallel molecular dynamics implementation
4. 3D-QSAR CoMFA of a Series of DABO Derivatives as HIV-1 Reverse Transcriptase Non-Nucleoside Inhibitors
5. The Amber biomolecular simulation programs
Cited by 6 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. Towards new bioactive fluorine-containing 1,3,4-oxadiazole-amide derivatives: synthesis, antibacterial activity, molecular docking and molecular dynamics simulation study;Molecular Diversity;2024-06-20
2. Exploring the Efficacy of Noncovalent SARS‐CoV‐2 Main Protease Inhibitors: A Computational Simulation Analysis Study;Chemistry & Biodiversity;2024-04-16
3. 3D-QSAR and Molecular Dynamics Study of Isoxazole Derivatives to Identify the Structural Requirements for Farnesoid X Receptor (FXR) Agonists;Molecules;2024-03-08
4. Biochemical and molecular docking-based strategies of Acalypha indica and Boerhavia diffusa extract by targeting bacterial strains and cancer proteins;Journal of Biomolecular Structure and Dynamics;2023-12-26
5. 3D-QSAR, molecular docking, and molecular dynamics analysis of novel biphenyl-substituted pyridone derivatives as potent HIV-1 NNRTIs;Journal of Biomolecular Structure and Dynamics;2023-11
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