Computational design of a human butyrylcholinesterase mutant for accelerating cocaine hydrolysis based on the transition-state simulation.
作者信息
Gao Daquan, Cho Hoon, Yang Wenchao, Pan Yongmei, Yang Guangfu, Tai Hsin-Hsiung, Zhan Chang-Guo
机构信息
Department of Pharmaceutical Sciences, College of Pharmacy, University of Kentucky, 725 Rose Street, Lexington, KY 40536, USA.
出版信息
Angew Chem Int Ed Engl. 2006 Jan 16;45(4):653-7. doi: 10.1002/anie.200503025.
Abstract
摘要
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本文引用的文献
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Modeling effects of oxyanion hole on the ester hydrolysis catalyzed by human cholinesterases.模拟氧阴离子空穴对人胆碱酯酶催化酯水解的影响。
J Phys Chem B. 2005 Dec 8;109(48):23070-6. doi: 10.1021/jp053736x.
2
Molecular dynamics simulation of cocaine binding with human butyrylcholinesterase and its mutants.可卡因与人丁酰胆碱酯酶及其突变体结合的分子动力学模拟
J Phys Chem B. 2005 Mar 17;109(10):4776-82. doi: 10.1021/jp0447136.
3
First-principle studies of intermolecular and intramolecular catalysis of protonated cocaine.质子化可卡因分子间和分子内催化的第一性原理研究。
J Comput Chem. 2005 Jul 30;26(10):980-6. doi: 10.1002/jcc.20241.
4
Fluorescent cocaine probes: a tool for the selection and engineering of therapeutic antibodies.荧光可卡因探针：一种用于治疗性抗体筛选和工程改造的工具。
J Am Chem Soc. 2005 Mar 2;127(8):2477-84. doi: 10.1021/ja043935e.
5
Addiction as a computational process gone awry.成瘾是一个出了差错的计算过程。
Science. 2004 Dec 10;306(5703):1944-7. doi: 10.1126/science.1102384.
6
Gene transfer of cocaine hydrolase suppresses cardiovascular responses to cocaine in rats.可卡因水解酶的基因转移可抑制大鼠对可卡因的心血管反应。
Mol Pharmacol. 2005 Jan;67(1):204-11. doi: 10.1124/mol.104.006924. Epub 2004 Oct 1.
7
Treating cocaine addiction with viruses.用病毒治疗可卡因成瘾。
Proc Natl Acad Sci U S A. 2004 Jul 13;101(28):10416-21. doi: 10.1073/pnas.0403795101. Epub 2004 Jun 28.
8
Three-dimensional quantitative structure-activity relationship modeling of cocaine binding by a novel human monoclonal antibody.一种新型人源单克隆抗体与可卡因结合的三维定量构效关系建模
J Med Chem. 2004 Jan 1;47(1):133-42. doi: 10.1021/jm030351z.
9
Fundamental reaction mechanism for cocaine hydrolysis in human butyrylcholinesterase.可卡因在人丁酰胆碱酯酶中水解的基本反应机制。
J Am Chem Soc. 2003 Mar 5;125(9):2462-74. doi: 10.1021/ja020850+.
10
Neurobiology of butyrylcholinesterase.丁酰胆碱酯酶的神经生物学
Nat Rev Neurosci. 2003 Feb;4(2):131-8. doi: 10.1038/nrn1035.
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