Homology modeling and molecular dynamics of CYP1A1 and CYP2B1 to explore the metabolism of aryl derivatives by docking and experimental assays

European Journal of Medicinal Chemistry

Volumn 45, Issue 11, 2010, Pages 4845-4855

  Rosales Hernández, Martha C ^a   Mendieta Wejebe, Jessica E ^a   Trujillo Ferrara, José G ^a   Correa Basurto, José ^a  

^a INSTITUTO POLITÉCNICO NACIONAL   (Mexico)

Author keywords

Aryl derivatives; Cytochrome P450; Docking; Homology modeling; Molecular dynamics

Indexed keywords

1H PYRROLIDINE 1 (4' HYDROXY PHENYL) 2,5 DIONE; 4 (4' HYDROXY PHENYLAMINO) 4 OXO PROPANOIC ACID; BETA NAPHTHOFLAVONE; CHOLINESTERASE INHIBITOR; CYTOCHROME P450 1A1; CYTOCHROME P450 2B1; DRUG METABOLITE; HEME; HYDROXYL GROUP; PARACETAMOL; PHENOBARBITAL; UNCLASSIFIED DRUG;

ANIMAL CELL; ANIMAL EXPERIMENT; ANIMAL TISSUE; ARTICLE; CONTROLLED STUDY; DRUG METABOLISM; GAS CHROMATOGRAPHY; HIGH PERFORMANCE LIQUID CHROMATOGRAPHY; LIVER MICROSOME; MALE; MASS SPECTROMETRY; MOLECULAR DOCKING; MOLECULAR DYNAMICS; NONHUMAN; PROTEIN TARGETING; RAT;

AMINO ACID SEQUENCE; ANIMALS; BETA-NAPHTHOFLAVONE; CHROMATOGRAPHY, HIGH PRESSURE LIQUID; CYTOCHROME P-450 CYP1A1; CYTOCHROME P-450 CYP2B1; GAS CHROMATOGRAPHY-MASS SPECTROMETRY; MICROSOMES, LIVER; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; MOLECULAR SEQUENCE DATA; PHENOBARBITAL; RATS; SEQUENCE HOMOLOGY, AMINO ACID;

EID: 77957850961     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2010.07.055     Document Type: Article

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