Molecular determinants of xenobiotic metabolism: QM/MM simulation of the conversion of 1-chloro-2,4-dinitrobenzene catalyzed by M1-1 glutathione S-transferase

Biochemistry

Volumn 46, Issue 21, 2007, Pages 6353-6363

  Bowman, Anna L ^a   Ridder, Lars ^b   Rietjens, Ivonne M C M ^c   Vervoort, Jacques ^c   Mulholland, Adrian J ^a  

^a UNIVERSITY OF BRISTOL   (United Kingdom)

^b NV ORGANON   (Netherlands)

^c WAGENINGEN UNIVERSITY   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

BENZENE; BIOASSAY; CATALYST ACTIVITY; COMPUTER SIMULATION; ENZYMES; RATS;

CATALYTIC ISOENZYMES; GENETIC POLYMORPHISMS; MOLECULAR DETERMINANTS; XENOBIOTIC METABOLISM;

METABOLISM;

1 CHLORO 2,4 DINITROBENZENE; GLUTATHIONE TRANSFERASE M1; ISOENZYME;

ARTICLE; CATALYSIS; ENERGY; ENZYME ACTIVITY; ENZYME MECHANISM; GENETIC POLYMORPHISM; HISTOGRAM; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; MOLECULAR MODEL; POINT MUTATION; PRIORITY JOURNAL; QUANTUM MECHANICS; REACTION ANALYSIS; SIMULATION; STANDARD; WILD TYPE; XENOBIOTIC METABOLISM;

ANIMALS; CATALYSIS; COMPUTER SIMULATION; DINITROCHLOROBENZENE; GLUTATHIONE TRANSFERASE; MODELS, MOLECULAR; MUTATION; RATS; XENOBIOTICS;

RATTUS;

EID: 34249680791     PISSN: 00062960     EISSN: None     Source Type: Journal    
DOI: 10.1021/bi0622827     Document Type: Article

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