In silico development of potential InhA inhibitors through 3D-QSAR analysis, virtual screening and molecular dynamics

Vaishnav Bhaskar, Sunil Kumar, Aathira Sujathan Nair, S. Gokul, Prayaga Rajappan Krishnendu, Sonu Benny, C. T. Amrutha, Deepthi S. Manisha, Vaishnavi Bhaskar, Subin Mary Zachariah, T. P. Aneesh, Mohamed A. Abdelgawad, Mohammed M. Ghoneim, Leena K. Pappachen, Orazio Nicolotti, Bijo Mathew
{"title":"In silico development of potential InhA inhibitors through 3D-QSAR analysis, virtual screening and molecular dynamics","authors":"Vaishnav Bhaskar, Sunil Kumar, Aathira Sujathan Nair, S. Gokul, Prayaga Rajappan Krishnendu, Sonu Benny, C. T. Amrutha, Deepthi S. Manisha, Vaishnavi Bhaskar, Subin Mary Zachariah, T. P. Aneesh, Mohamed A. Abdelgawad, Mohammed M. Ghoneim, Leena K. Pappachen, Orazio Nicolotti, Bijo Mathew","doi":"10.1080/07391102.2023.2291549","DOIUrl":null,"url":null,"abstract":"Tuberculosis is one of the most ancient infectious diseases known to mankind predating upper Paleolithic era. In the current scenario, treatment of drug resistance tuberculosis is the major challen...","PeriodicalId":15085,"journal":{"name":"Journal of Biomolecular Structure and Dynamics","volume":"110 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2023-12-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Biomolecular Structure and Dynamics","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1080/07391102.2023.2291549","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0

Abstract

Tuberculosis is one of the most ancient infectious diseases known to mankind predating upper Paleolithic era. In the current scenario, treatment of drug resistance tuberculosis is the major challen...
通过三维-QSAR分析、虚拟筛选和分子动力学,对潜在的InhA抑制剂进行硅学开发
结核病是人类已知的最古老的传染病之一,早在旧石器时代就已存在。在当前形势下,治疗耐药性结核病是一项重大挑战。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 求助全文
来源期刊
自引率
0.00%
发文量
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信