Prediction of activation energies for hydrogen abstraction by cytochrome P450

Journal of Medicinal Chemistry

Volumn 49, Issue 22, 2006, Pages 6489-6499

  Olsen, Lars ^a   Rydberg, Patrik ^b   Rod, Thomas H ^c   Ryde, Ulf ^b  

^a UNIVERSITY OF COPENHAGEN   (Denmark)

^b LUND UNIVERSITY   (Sweden)

^c UNIVERSITY OF COPENHAGEN   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

1 METHYL 4 NITROSOBENZENE; 1 METHYLETHYLBENZENE; 2 FLUOROPROP 1 ENE; ANILINE DERIVATIVE; ANISOLE; BUTANE; CYTOCHROME P450; DEXTROMETHORPHAN; DIMETHYL ETHER; DIMETHYLAMINE; DIMETHYLSULFANE; ETHYLBENZENE; FLUORETHANE; HYDROGEN; ISOBUTANE; METHANE; METHYL(PHENYL)SULFANE; METHYLANILINE; N,N DIMETHYLANILINE; ORGANIC COMPOUND; PARA XYLENE; PROGESTERONE; PROPANE; PROPIONALDEHYDE; PROPYLENE; SULFUR DERIVATIVE; TOLUENE; TRIMETHYLAMINE; UNCLASSIFIED DRUG;

ACTIVATION ENERGY; ANALYTICAL ERROR; ARTICLE; DENSITY FUNCTIONAL THEORY; DISSOCIATION; ENERGY; ENZYME ACTIVITY; ENZYME METABOLISM; ENZYME SUBSTRATE COMPLEX; EXTRACTION; HYDROGEN ABSTRACTION; HYDROGEN BOND; PREDICTION;

ALGORITHMS; CHEMISTRY, PHYSICAL; COMPUTATIONAL BIOLOGY; CYTOCHROME P-450 ENZYME SYSTEM; HYDROGEN; IRON; MODELS, CHEMICAL; PHARMACEUTICAL PREPARATIONS;

EID: 33750486521     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm060551l     Document Type: Article

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