Analysis of clinically relevant substrates of CYP2B6 enzyme by computational methods

Journal of Molecular Modeling

Volumn 17, Issue 11, 2011, Pages 2839-2846

  Niu, Rui Juan ^a   Zheng, Qing Chuan ^a   Zhang, Ji Long ^a   Zhang, Hong Xing ^a  

^a JILIN UNIVERSITY   (China)

Author keywords

Clinically relevant; CYP2B6; Molecular docking; Molecular dynamics; Substrates

Indexed keywords

2, 6 DI SEC BUTYL PHENOL; ALANINE; AMFEBUTAMONE; CYTOCHROME P450 2B6; EFAVIRENZ; GLYCINE; LEUCINE; METHYLPHENOBARBITAL; PHENOL DERIVATIVE; PHENYLALANINE; PROPOFOL; THREONINE; UNCLASSIFIED DRUG; VALINE;

ARTICLE; BINDING AFFINITY; CRYSTAL STRUCTURE; CRYSTALLOGRAPHY; DRUG BINDING SITE; DRUG METABOLISM; ENZYME SPECIFICITY; ENZYME SUBSTRATE COMPLEX; HUMAN; HYDROGEN BOND; MOLECULAR DOCKING; MOLECULAR DYNAMICS; PRIORITY JOURNAL; SITE DIRECTED MUTAGENESIS;

BENZOXAZINES; BINDING SITES; BUPROPION; BUTANES; CYTOCHROME P-450 ENZYME SYSTEM; HUMANS; HYDROGEN BONDING; MOLECULAR CONFORMATION; MOLECULAR DYNAMICS SIMULATION; PHARMACEUTICAL PREPARATIONS; PHENOLS; PROPOFOL; PROTEIN BINDING; SUBSTRATE SPECIFICITY;

EID: 80255138744     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-011-0970-2     Document Type: Article

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