Cytochrome P450 in silico: An integrative modeling approach

Journal of Medicinal Chemistry

Volumn 48, Issue 8, 2005, Pages 2725-2755

  De Graaf, Chris ^a   Vermeulen, Nico P E ^a   Feenstra, K Anton ^a  

^a VU UNIVERSITY AMSTERDAM   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

1,3,5 TRICHLOROBENZENE; 4 (4 CHLOROPHENYL)IMIDAZOLE; 4 METHYL N METHYL N (2 PHENYL 2H PYRAZOL 3 YL)BENZENESULFONAMIDE; 4 PHENYLIMIDAZOLE; 9 AMINOPHENANTHRENE; ADAMANTANE; ADAMANTANONE; AROMATASE; BENZENE DERIVATIVE; BUTYL ISOCYANIDE; CAMPHANE; CAMPHOR; CYANIDE; CYTOCHROME P450; CYTOCHROME P450 101; CYTOCHROME P450 102; CYTOCHROME P450 105C1; CYTOCHROME P450 105C1A1; CYTOCHROME P450 107A; CYTOCHROME P450 119; CYTOCHROME P450 17; CYTOCHROME P450 17ALPHA; CYTOCHROME P450 1A1; CYTOCHROME P450 1A2; CYTOCHROME P450 1B1; CYTOCHROME P450 27A1; CYTOCHROME P450 27B1; CYTOCHROME P450 2A1; CYTOCHROME P450 2A13; CYTOCHROME P450 2A4; CYTOCHROME P450 2A5; CYTOCHROME P450 2A6; CYTOCHROME P450 2B1; CYTOCHROME P450 2B2; CYTOCHROME P450 2B4; CYTOCHROME P450 2B5; CYTOCHROME P450 2B6; CYTOCHROME P450 2C18; CYTOCHROME P450 2C19; CYTOCHROME P450 2C5; CYTOCHROME P450 2C8; CYTOCHROME P450 2C9; CYTOCHROME P450 2D6; CYTOCHROME P450 2E1; CYTOCHROME P450 3A4; CYTOCHROME P450 3A5; CYTOCHROME P450 3A7; CYTOCHROME P450 4A1; CYTOCHROME P450 4A11; CYTOCHROME P450 4F11; CYTOCHROME P450 4F3A; CYTOCHROME P450 73A1; CYTOCHROME P450 B1; DEXTROMETHORPHAN; DICLOFENAC; EPOTHILONE B; EPOTHILONE D; ESTRIOL; FLUCONAZOLE; FLURBIPROFEN; GLYCINE DERIVATIVE; IMIDAZOLE; IMIDAZOLE DERIVATIVE; ISOCYANIC ACID DERIVATIVE; METYRAPONE; N PALMITOYLGLYCINE; NICOTINE; NORCAMPHOR; PALMITIC ACID; PALMITOLEIC ACID; PHENANTHRENE DERIVATIVE; PHOTOSENSITIZING AGENT; PINENE; PROGESTERONE; STEROL 14ALPHA DEMETHYLASE; SULFONAMIDE; THIOCAMPHOR; THIOL DERIVATIVE; UNCLASSIFIED DRUG; WARFARIN;

COMPARATIVE MOLECULAR FIELD ANALYSIS; CONFORMATIONAL TRANSITION; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ENZYME ACTIVE SITE; HYDROGEN BOND; LIGAND BINDING; MOLECULAR MODEL; MOLECULAR RECOGNITION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; QUANTUM CHEMISTRY; QUANTUM MECHANICS; REVIEW; X RAY CRYSTALLOGRAPHY;

ANIMALS; BINDING SITES; CRYSTALLOGRAPHY, X-RAY; CYTOCHROME P-450 ENZYME SYSTEM; HUMANS; LIGANDS; MODELS, MOLECULAR; PROTEIN BINDING; PROTEIN CONFORMATION; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; QUANTUM THEORY;

EID: 17444411955     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm040180d     Document Type: Review

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