DICP OpenIR
Subject Area物理化学
Investigation Binding Patterns of Human Carboxylesterase I (hCES I) with Broad Substrates by MD Simulations
Chu, Huiying1; Min, Hanyi2,3; Zhang, Mingbo4; Shen, Hujun1; Li, Guohui1; Hanyi Min; Li GH(李国辉)
KeywordHces1 Binding Pattern Molecular Simulations
Source PublicationCURRENT TOPICS IN MEDICINAL CHEMISTRY
2013-05-01
Volume13Issue:10Pages:1222-1233
Indexed BySCI
Cooperation Status
SubtypeReview
Department11
Funding Project1106
Contribution Rank待补充
WOS HeadingsScience & Technology ; Life Sciences & Biomedicine
Funding Organization1,1 ; 1,1 ; 1,1 ; 1,1
WOS SubjectChemistry, Medicinal
WOS Research AreaPharmacology & Pharmacy
WOS KeywordM2 PROTON CHANNEL ; HUMAN LIVER CARBOXYLESTERASE ; PROTEASE CLEAVAGE SITES ; INFLUENZA-A VIRUS ; SEQUENTIAL EVOLUTION INFORMATION ; PREDICTING SIGNAL PEPTIDES ; FUSING FUNCTIONAL DOMAIN ; TERTIARY STRUCTURE ; WEB-SERVER ; MAMMALIAN CARBOXYLESTERASES
AbstractHuman carboxylesterase I (hCES 1) plays an important role in the metabolism and activation of prodrugs, such as, the hydrolysis of a variety of drugs of prodrugs featuring an ester, amide or carbamate function. The bindings of the substrates of different lengths and cocaine to hCES1 at two different binding sites, catalytic site and Z-site, were studies through MD simulations. For each case, the correlation analysis has been performed to explore the binding patterns of a broad range of substrates binding to the hCES1.
Language英语
Funding Organization1,1 ; 1,1 ; 1,1 ; 1,1
URL查看原文
WOS IDWOS:000319974500009
Citation statistics
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/119483
Collection中国科学院大连化学物理研究所
Corresponding AuthorHanyi Min; Li GH(李国辉)
Affiliation1.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
Recommended Citation
GB/T 7714
Chu, Huiying,Min, Hanyi,Zhang, Mingbo,et al. Investigation Binding Patterns of Human Carboxylesterase I (hCES I) with Broad Substrates by MD Simulations[J]. CURRENT TOPICS IN MEDICINAL CHEMISTRY,2013,13(10):1222-1233.
APA Chu, Huiying.,Min, Hanyi.,Zhang, Mingbo.,Shen, Hujun.,Li, Guohui.,...&李国辉.(2013).Investigation Binding Patterns of Human Carboxylesterase I (hCES I) with Broad Substrates by MD Simulations.CURRENT TOPICS IN MEDICINAL CHEMISTRY,13(10),1222-1233.
MLA Chu, Huiying,et al."Investigation Binding Patterns of Human Carboxylesterase I (hCES I) with Broad Substrates by MD Simulations".CURRENT TOPICS IN MEDICINAL CHEMISTRY 13.10(2013):1222-1233.
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