CoMFA and molecular docking studies of benzoxazoles and benzothiazoles as CYP450 1A1 inhibitors

European Journal of Medicinal Chemistry

Volumn 45, Issue 3, 2010, Pages 967-972

  Pan, Jie ^a   Liu, Gen Yan ^a   Cheng, Jin ^a   Chen, Xin Jie ^a   Ju, Xiu Lian ^a  

^a WUHAN INSTITUTE OF TECHNOLOGY   (China)

Author keywords

CoMFA; CYP450 1A1; Homology modeling; Surflex docking

Indexed keywords

BENZOTHIAZOLE; BENZOXAZOLE DERIVATIVE; CYTOCHROME P450 1A1; CYTOCHROME P450 INHIBITOR;

ARTICLE; COMPARATIVE MOLECULAR FIELD ANALYSIS; CONTROLLED STUDY; DRUG BINDING SITE; DRUG CONFORMATION; DRUG DESIGN; ENZYME INHIBITION; MOLECULAR DOCKING; MOLECULAR INTERACTION; NONHUMAN; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STRUCTURAL HOMOLOGY; STRUCTURE ACTIVITY RELATION; THREE DIMENSIONAL IMAGING;

BENZOTHIAZOLES; BENZOXAZOLES; BINDING SITES; COMPUTER SIMULATION; CYTOCHROME P-450 CYP1A1; ENZYME INHIBITORS; HUMANS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; STATIC ELECTRICITY;

EID: 76049130073     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2009.11.037     Document Type: Article

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