A new mechanism for ethanol oxidation mediated by cytochrome P450 2E1: bulk polarity of the active site makes a difference.
Wang
Yong
Y
State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China.
Yang
Chuanlu
C
Wang
Hongming
H
Han
Keli
K
Shaik
Sason
S
D001665:Binding Sites; D003198:Computer Simulation; D019392:Cytochrome P-450 CYP2E1 / Q000737:chemistry / Q000378:metabolism*; D000431:Ethanol / Q000737:chemistry* / Q000378:metabolism; D008954:Models, Biological; D015394:Molecular Structure; D010084:Oxidation-Reduction
D000431:Ethanol; D019392:Cytochrome P-450 CYP2E1