Fundamental reaction mechanism for cocaine hydrolysis in human butyrylcholinesterase

Journal of the American Chemical Society

Volumn 125, Issue 9, 2003, Pages 2462-2474

  Zhan, Chang Guo ^a   Zheng, Fang ^b   Landry, Donald W ^a  

^a Columbia University ^*  (United States)

^b WASHINGTON STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; CATALYSIS; COMPUTER SIMULATION; ESTERS; GIBBS FREE ENERGY; HYDROLYSIS; MOLECULAR DYNAMICS; PROTONS;

DEACYLATION;

ENZYMES;

ASPARTIC ACID; BUTYRYLCHOLINE; CHOLINESTERASE; COCAINE; MUTANT PROTEIN; SERINE DEHYDRATASE; TRYPTOPHAN;

AB INITIO CALCULATION; ACYLATION; ARTICLE; CATALYSIS; CHEMICAL REACTION KINETICS; CHEMICAL STRUCTURE; DEACYLATION; DRUG HYDROLYSIS; ENERGY TRANSFER; ENZYME ACTIVE SITE; ENZYME ACTIVITY; ENZYME MODIFICATION; ENZYME SUBSTRATE COMPLEX; MOLECULAR DYNAMICS; MOLECULAR MODEL; NONHUMAN; PROTON TRANSPORT; REACTION ANALYSIS; SIMULATION;

BUTYRYLCHOLINESTERASE; CHOLINE; COCAINE; COMPUTER SIMULATION; HUMANS; HYDROLYSIS; KINETICS; MODELS, MOLECULAR; PROTEIN CONFORMATION; STEREOISOMERISM; STREET DRUGS;

EID: 0242669341     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja020850+     Document Type: Article

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