Computational design of a human butyrylcholinesterase mutant for accelerating cocaine hydrolysis based on the transition-state simulation.
Gao
Daquan
D
Department of Pharmaceutical Sciences, College of Pharmacy, University of Kentucky, 725 Rose Street, Lexington, KY 40536, USA.
Cho
Hoon
H
Yang
Wenchao
W
Pan
Yongmei
Y
Yang
Guangfu
G
Tai
Hsin-Hsiung
HH
Zhan
Chang-Guo
CG
D001665:Binding Sites; D002091:Butyrylcholinesterase / Q000737:chemistry* / Q000235:genetics; D002384:Catalysis; D003042:Cocaine / Q000737:chemistry*; D019295:Computational Biology; D017076:Computer-Aided Design; D004789:Enzyme Activation; D006801:Humans; D006860:Hydrogen Bonding; D006868:Hydrolysis; D015394:Molecular Structure; D009154:Mutation; D013237:Stereoisomerism
D002091:Butyrylcholinesterase; D003042:Cocaine