DICP OpenIR
学科主题物理化学
Molecular Recognition of Human Angiotensin-Coverting Enzyme I (hACE I) and Different Inhibitors
Chu, Huiying1; Min, Hanyi2,3; Zhang, Mingbo4; Shen, Hujun1; Li, Guohui1; Hanyi Min; Li GH(李国辉)
关键词Ace Different Conformations Binding Mode Interaction Energy
刊名CURRENT TOPICS IN MEDICINAL CHEMISTRY
2013-05-01
13期:10页:1211-1221
收录类别SCI
合作性质
文章类型Review
部门归属11
项目归属1106
产权排名待补充
WOS标题词Science & Technology ; Life Sciences & Biomedicine
资助者1,1 ; 1,1 ; 1,1 ; 1,1
类目[WOS]Chemistry, Medicinal
研究领域[WOS]Pharmacology & Pharmacy
关键词[WOS]INFLUENZA-A VIRUS ; CONVERTING-ENZYME ; BIOLOGICAL FUNCTIONS ; DRUG-RESISTANCE ; COLLECTIVE MOTION ; M2 CHANNEL ; PEPTIDES ; ACE ; MECHANISM ; DOMAIN
英文摘要The human angiontensin-converting enzyme I (hACEI) is a zinc metalloproteinase that hydrolytically cleaves a C-terminal dipeptide from a wide range of peptide substrates, and it plays an important role in regulating blood pressure. MD simulations and interaction energy calculations for docking and crystal structures were performed to investigate the correct conformation of the ACE with enalaprilat and nanopepetide. The analysis of root-mean-squrared fluctuation (RMSF), which is usually applied to measure the mobility and flexibility of the proteins, and dynamic correlation of residues show that the fluctuation pattern of the each two structure of the same ligand is almost the same mode. Hydrogen bond analysis shows that the correct crystal conformation is more stable than a wrong docking conformation. In addition, we are demonstrating that calculating interaction energy between protein and its ligands is an accurate and efficient way to select the correct conformation from docking conformations.
语种英语
资助者1,1 ; 1,1 ; 1,1 ; 1,1
原文出处查看原文
WOS记录号WOS:000319974500008
引用统计
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/119628
专题中国科学院大连化学物理研究所
通讯作者Hanyi Min; Li GH(李国辉)
作者单位1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Lab Mol Modeling & Design, Dalian, Liaoning Provin, Peoples R China
2.Chinese Acad Med Sci, Peking Union Med Coll Hosp, Dept Ophthalmol, Beijing 100730, Peoples R China
3.Peking Union Med Coll, Beijing 100730, Peoples R China
4.Liaoning Univ Tradit Chinese Med, Coll Pharm, Dalian 116600, Liaoning Provin, Peoples R China
推荐引用方式
GB/T 7714
Chu, Huiying,Min, Hanyi,Zhang, Mingbo,et al. Molecular Recognition of Human Angiotensin-Coverting Enzyme I (hACE I) and Different Inhibitors[J]. CURRENT TOPICS IN MEDICINAL CHEMISTRY,2013,13(10):1211-1221.
APA Chu, Huiying.,Min, Hanyi.,Zhang, Mingbo.,Shen, Hujun.,Li, Guohui.,...&李国辉.(2013).Molecular Recognition of Human Angiotensin-Coverting Enzyme I (hACE I) and Different Inhibitors.CURRENT TOPICS IN MEDICINAL CHEMISTRY,13(10),1211-1221.
MLA Chu, Huiying,et al."Molecular Recognition of Human Angiotensin-Coverting Enzyme I (hACE I) and Different Inhibitors".CURRENT TOPICS IN MEDICINAL CHEMISTRY 13.10(2013):1211-1221.
条目包含的文件
文件名称/大小 文献类型 版本类型 开放类型 使用许可
2013wQcxns4qQv.PDF(1836KB) 开放获取CC BY-NC-SA请求全文
个性服务
推荐该条目
保存到收藏夹
查看访问统计
导出为Endnote文件
谷歌学术
谷歌学术中相似的文章
[Chu, Huiying]的文章
[Min, Hanyi]的文章
[Zhang, Mingbo]的文章
百度学术
百度学术中相似的文章
[Chu, Huiying]的文章
[Min, Hanyi]的文章
[Zhang, Mingbo]的文章
必应学术
必应学术中相似的文章
[Chu, Huiying]的文章
[Min, Hanyi]的文章
[Zhang, Mingbo]的文章
相关权益政策
暂无数据
收藏/分享
所有评论 (0)
暂无评论
 

除非特别说明,本系统中所有内容都受版权保护,并保留所有权利。