Identification of novel insect β-N-acetylhexosaminidase OfHex1 inhibitors based on virtual screening, biological evaluation, and molecular dynamics simulation
Author:
Affiliation:
1. Department of Applied Chemistry, College of Science, China Agricultural University, Beijing, China
2. Institute of Plant Protection, Chinese Academy of Agricultural Sciences, Beijing, China
Funder
National Natural Science Foundation of China
Chinese Universities Scientific Fund
Publisher
Informa UK Limited
Subject
Molecular Biology,General Medicine,Structural Biology
Link
https://www.tandfonline.com/doi/pdf/10.1080/07391102.2020.1743758
Reference37 articles.
1. The Carbohydrate-Active EnZymes database (CAZy): an expert resource for Glycogenomics
2. Particle mesh Ewald: AnN⋅log(N) method for Ewald sums in large systems
3. Glycoside hydrolase family 18 and 20 enzymes are novel targets of the traditional medicine berberine
4. A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations
Cited by 13 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. Molecular targets and their application examples for interrupting chitin biosynthesis;Chinese Chemical Letters;2024-04
2. Recent advances in glycoside hydrolase family 20 and 84 inhibitors: Structures, inhibitory mechanisms and biological activities;Bioorganic Chemistry;2024-01
3. Structure-guided computational insecticide discovery targeting β -N-acetyl-D-hexosaminidase of Ostrinia furnacalis;Journal of Biomolecular Structure and Dynamics;2023-10-09
4. Discovery of Multitarget Inhibitors against Insect Chitinolytic Enzymes via Machine Learning-Based Virtual Screening;Journal of Agricultural and Food Chemistry;2023-05-31
5. Synthesis, Insecticidal Activity and Computational Studies of Eugenol-Based Insecticides;The 26th International Electronic Conference on Synthetic Organic Chemistry;2022-11-16
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