Theoretical investigation on the mechanism and kinetic isotope effects of DBCP hydroxylation by cytochrome P450

YuQin MA; XingBao WANG; JingWen CHEN; Yong WANG

doi:10.1360/972012-158

Theoretical investigation on the mechanism and kinetic isotope effects of DBCP hydroxylation by cytochrome P450

Chinese Science Bulletin (Chinese Version) ◽

10.1360/972012-158 ◽

2012 ◽

Vol 57 (28-29) ◽

pp. 2699-2704

Author(s):

YuQin MA ◽

XingBao WANG ◽

JingWen CHEN ◽

Yong WANG

Keyword(s):

Cytochrome P450 ◽

Theoretical Investigation ◽

Isotope Effects ◽

Kinetic Isotope Effects ◽

Kinetic Isotope

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Kinetic Isotope Effects and Transition State Geometries. A Theoretical Investigation of E2 Model Systems

The Journal of Organic Chemistry ◽

10.1021/jo9618379 ◽

1997 ◽

Vol 62 (2) ◽

pp. 253-260 ◽

Cited By ~ 14

Author(s):

Sanne Schrøder Glad ◽

Frank Jensen

Keyword(s):

Transition State ◽

Theoretical Investigation ◽

Isotope Effects ◽

Kinetic Isotope Effects ◽

Model Systems ◽

Kinetic Isotope

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Kinetic Isotope Effects in a C−H Bond Dissociation by the Iron-Oxo Species of Cytochrome P450

The Journal of Physical Chemistry B ◽

10.1021/jp001950+ ◽

2000 ◽

Vol 104 (51) ◽

pp. 12365-12370 ◽

Cited By ~ 21

Author(s):

Kazunari Yoshizawa ◽

Yoshihisa Kagawa ◽

Yoshihito Shiota

Keyword(s):

Cytochrome P450 ◽

Isotope Effects ◽

Kinetic Isotope Effects ◽

Bond Dissociation ◽

Kinetic Isotope

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Kinetic Isotope Effects in Hydroxylation Reactions Effected by Cytochrome P450 Compounds I Implicate Multiple Electrophilic Oxidants for P450-Catalyzed Oxidations†

Biochemistry ◽

10.1021/bi802279d ◽

2009 ◽

Vol 48 (7) ◽

pp. 1620-1627 ◽

Cited By ~ 12

Author(s):

Xin Sheng ◽

Haoming Zhang ◽

Paul F. Hollenberg ◽

Martin Newcomb

Keyword(s):

Cytochrome P450 ◽

Isotope Effects ◽

Kinetic Isotope Effects ◽

Kinetic Isotope

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A Theoretical Investigation of α-Carbon Kinetic Isotope Effects and Their Relationship to the Transition-State Structure of SN2 Reactions

The Journal of Organic Chemistry ◽

10.1021/jo047987y ◽

2005 ◽

Vol 70 (10) ◽

pp. 4022-4027 ◽

Cited By ~ 21

Author(s):

O. Matsson ◽

A. Dybala-Defratyka ◽

M. Rostkowski ◽

P. Paneth ◽

K. C. Westaway

Keyword(s):

Transition State ◽

Theoretical Investigation ◽

Isotope Effects ◽

Kinetic Isotope Effects ◽

State Structure ◽

Transition State Structure ◽

Sn2 Reactions ◽

Kinetic Isotope

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Theoretical Investigation of Large Kinetic Isotope Effects for Proton-Coupled Electron Transfer in Ruthenium Polypyridyl Complexes

Journal of the American Chemical Society ◽

10.1021/ja017633d ◽

2002 ◽

Vol 124 (17) ◽

pp. 4848-4856 ◽

Cited By ~ 34

Author(s):

Nedialka Iordanova ◽

Sharon Hammes-Schiffer

Keyword(s):

Electron Transfer ◽

Theoretical Investigation ◽

Isotope Effects ◽

Kinetic Isotope Effects ◽

Ruthenium Polypyridyl ◽

Polypyridyl Complexes ◽

Proton Coupled Electron Transfer ◽

Kinetic Isotope ◽

Ruthenium Polypyridyl Complexes

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Theoretical investigation of the origin of secondary α-deuterium kinetic isotope effects

Journal of the Chemical Society Chemical Communications ◽

10.1039/c39930001286 ◽

1993 ◽

pp. 1286-1287 ◽

Cited By ~ 10

Author(s):

John A. Barnes ◽

Ian H. Williams

Keyword(s):

Theoretical Investigation ◽

Isotope Effects ◽

Kinetic Isotope Effects ◽

Kinetic Isotope

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KINETIC ISOTOPE EFFECTS IMPLICATE A SINGLE OXIDANT FOR CYTOCHROME P450-MEDIATED O-DEALKYLATION, N-OXYGENATION, AND AROMATIC HYDROXYLATION OF 6-METHOXYQUINOLINE

Drug Metabolism and Disposition ◽

10.1124/dmd.106.010280 ◽

2006 ◽

Vol 34 (8) ◽

pp. 1288-1290 ◽

Cited By ~ 14

Author(s):

Tamara S. Dowers ◽

Jeffrey P. Jones

Keyword(s):

Cytochrome P450 ◽

Isotope Effects ◽

Kinetic Isotope Effects ◽

Kinetic Isotope ◽

Aromatic Hydroxylation

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Kinetic isotope effects and ?metabolic switching? in cytochrome P450-catalyzed reactions

BioEssays ◽

10.1002/bies.950070506 ◽

1987 ◽

Vol 7 (5) ◽

pp. 215-219 ◽

Cited By ~ 35

Author(s):

Gerald T. Miwa ◽

Anthony Y. H. Lu

Keyword(s):

Cytochrome P450 ◽

Isotope Effects ◽

Kinetic Isotope Effects ◽

Kinetic Isotope ◽

Metabolic Switching ◽

Catalyzed Reactions

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Model systems for cytochrome P450 dependent mono-oxygenases. Part 2. Kinetic isotope effects for the oxidative demethylation of anisole and [Me-2H3]anisole by cytochrome P450 dependent mono-oxygenases and model systems

Journal of the Chemical Society Perkin Transactions 2 ◽

10.1039/p29830000621 ◽

1983 ◽

pp. 621 ◽

Cited By ~ 23

Author(s):

John R. Lindsay Smith ◽

Paul R. Sleath

Keyword(s):

Cytochrome P450 ◽

Isotope Effects ◽

Kinetic Isotope Effects ◽

Model Systems ◽

Oxidative Demethylation ◽

Kinetic Isotope

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Quantitative Production of Compound I from a Cytochrome P450 Enzyme at Low Temperatures. Kinetics, Activation Parameters, and Kinetic Isotope Effects for Oxidation of Benzyl Alcohol

Journal of the American Chemical Society ◽

10.1021/ja9031105 ◽

2009 ◽

Vol 131 (30) ◽

pp. 10629-10636 ◽

Cited By ~ 42

Author(s):

Qin Wang ◽

Xin Sheng ◽

John H. Horner ◽

Martin Newcomb

Keyword(s):

Cytochrome P450 ◽

Benzyl Alcohol ◽

Low Temperatures ◽

Isotope Effects ◽

Activation Parameters ◽

Kinetic Isotope Effects ◽

Cytochrome P450 Enzyme ◽

Compound I ◽

Kinetic Isotope ◽

P450 Enzyme

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