Molecular modelling of CYP2E1 enzymes from rat, mouse and man: An explanation for species differences in butadiene metabolism and potential carcinogenicity, and rationalization of CYP2E substrate specificity

Toxicology

Volumn 118, Issue 2-3, 1997, Pages 93-113

  Lewis, David F V ^a   Bird, Michael G ^b   Parke, Dennis V ^a  

^a UNIVERSITY OF SURREY   (United Kingdom)

^b EXXONMOBIL UPSTREAM RESEARCH COMPANY   (United States)

Author keywords

Butadiene metabolism; Carcinogenicity; CYP2E1 enzymes

Indexed keywords

2 BUTANOL; 2 PROPANOL; 4 NITROPHENOL; ACETONE; ACETONITRILE; ALCOHOL; ANILINE; AZOXYMETHANE; BENZENE; CARBON TETRACHLORIDE; CYTOCHROME P450 ISOENZYME; DIMETHYL SULFOXIDE; DIMETHYLNITROSAMINE; ETHER; HALOTHANE; IMIDAZOLE; ISONIAZID; N NITROSOPYRROLIDINE; PARA XYLENE; PARACETAMOL; PENTANE; PYRAZOLE; PYRIDINE; XENOBIOTIC AGENT;

ARTICLE; CALCULATION; CARCINOGENICITY; DRUG METABOLISM; ENZYME ACTIVE SITE; ENZYME MODIFICATION; ENZYME SPECIFICITY; ENZYME STRUCTURE; ENZYME SUBSTRATE COMPLEX; HUMAN; MOLECULAR MODEL; MOUSE; NONHUMAN; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RAT; SPECIES DIFFERENCE; THEORY;

AMINO ACID SEQUENCE; ANIMALS; BUTADIENES; CARCINOGENS; COMPUTER SIMULATION; CRYSTALLIZATION; CYTOCHROME P-450 CYP2E1; EPOXY COMPOUNDS; HUMANS; HYDROCARBONS; ISOENZYMES; MICE; MODELS, MOLECULAR; MOLECULAR SEQUENCE DATA; OXIDATION-REDUCTION; PHENYLALANINE; RATS; SEQUENCE ALIGNMENT; SEQUENCE HOMOLOGY, AMINO ACID; SPECIES SPECIFICITY; STRUCTURE-ACTIVITY RELATIONSHIP; SUBSTRATE SPECIFICITY; THREONINE;

RODENTIA;

EID: 0031588947     PISSN: 0300483X     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0300-483X(96)03583-4     Document Type: Article

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