Modeling Chemical Interaction Profiles: II. Molecular Docking, Spectral Data-Activity Relationship, and Structure-Activity Relationship Models for Potent and Weak Inhibitors of Cytochrome P450 CYP3A4 Isozyme

Modeling Chemical Interaction Profiles: II. Molecular Docking, Spectral Data-Activity Relationship, and Structure-Activity Relationship Models for Potent and Weak Inhibitors of Cytochrome P450 CYP3A4 Isozyme

Polypharmacy increasingly has become a topic of public health concern, particularly as the U.S. population ages. Drug labels often contain insufficient information to enable the clinician to safely use multiple drugs. Because many of the drugs are bio-transformed by cytochrome P450 (CYP) enzymes, in...

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Bibliographic Details
Main Authors: Eugene Demchuk, Bruce A. Fowler, James C. Fuscoe, Richard D. Beger, Weida Tong, Jon G. Wilkes, Dan A. Buzatu, Weigong Ge, Laura K. Schnackenberg, Yunfeng Tie, Brooks McPhail, Huixiao Hong, Bruce A. Pearce
Format: Article
Language:English
Published: MDPI AG 2012-03-01
Series:Molecules
Subjects:
structure-activity relationship
SAR
QSAR
SDAR
docking
molecular modeling
inhibitor
CYP3A4
drug-drug interaction
drug-chemical interaction
DDI
DDCI
Online Access:http://www.mdpi.com/1420-3049/17/3/3407/

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http://www.mdpi.com/1420-3049/17/3/3407/

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