An in silico method for screening nicotine derivatives as cytochrome P450 2A6 selective inhibitors based on kernel partial least squares

International Journal of Molecular Sciences

Volumn 8, Issue 2, 2007, Pages 166-179

  Wang, Yonghua ^a   Li, Yan ^b   Wang, Bin ^a  

^a DALIAN OCEAN UNIVERSITY   (China)

^b DALIAN UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

CYP2A6; Inhibitors; Kernel partial least squares; Nicotine derivatives

Indexed keywords

CYTOCHROME P450 2A6; NICOTINE DERIVATIVE;

ARTICLE; BINDING AFFINITY; COMPUTER MODEL; DRUG ACTIVITY; DRUG DESIGN; DRUG SCREENING; DRUG STRUCTURE; HYDROGEN BOND; KERNEL METHOD; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

EID: 33947326090     PISSN: None     EISSN: 14220067     Source Type: Journal    
DOI: 10.3390/i8020166     Document Type: Article

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