Design of novel potential aromatase inhibitors via hybrid pharmacophore approach: docking improvement using the QM/MM method
Author:
Affiliation:
1. Department of Medicinal Chemistry
2. School of Pharmacy and Pharmaceutical Sciences
3. Isfahan University of Medical Sciences
4. Isfahan
5. I. R. Iran
6. Department of Chemistry
7. Isfahan University of Technology
Abstract
QM/MM and docking methods were used for designing novel hybrid aromatase inhibitors incorporating benzofuran, imidazole and quinazolinone moieties.
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemical Engineering,General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2015/RA/C5RA10097F
Reference45 articles.
1. Computer-Aided Drug Design: An Innovative Tool for Modeling
2. Computational Methods in Drug Discovery
3. The Many Roles of Computation in Drug Discovery
4. Protein-ligand docking: Current status and future challenges
Cited by 26 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. Novel naphthoquinones as potent aromatase inhibitors: Synthesis, anticancer, and in silico studies;Journal of Molecular Structure;2024-11
2. The Role of PNPLA3_rs738409 Gene Variant, Lifestyle Factors, and Bioactive Compounds in Nonalcoholic Fatty Liver Disease: A Population-Based and Molecular Approach towards Healthy Nutrition;Nutrients;2024-04-21
3. A journey from molecule to physiology and in silico tools for drug discovery targeting the transient receptor potential vanilloid type 1 (TRPV1) channel;Frontiers in Pharmacology;2024-01-24
4. Synthesis of novel conjugated benzofuran-triazine derivatives: Antimicrobial and in-silico molecular docking studies;Heliyon;2023-08
5. QM/MM Studies on Enzyme Catalysis and Insight into Designing of New Inhibitors by ONIOM Approach: Recent Update;ChemistrySelect;2023-01-02
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