Protein & Peptide Letters

Prof. Ben M. Dunn  
Department of Biochemistry and Molecular Biology
University of Florida
College of Medicine
P.O. Box 100245
Gainesville, FL
USA
Email: bdunn@ufl.edu

Back

Molecular Modeling of Two CYP2C19 SNPs and Its Implications for Personalized Drug Design

Author(s): Dong-Qing Wei, Jing-Fang Wang, Chao Chen, Yixue Li, Kuo-Chen Chou.

Abstract:

CYP2C19 is an important member of the cytochrome P-450 enzyme superfamily and plays a significant role in the drug metabolism. In order to gain insights for developing personalized drugs, the structure-activity relationships of two SNPs, W120R and I331V, with the ligands of CEC, Fluvoxamine, Lescol and Ticlopidine were investigated through the structure-activity relationship approach. By means of a series of docking studies, the binding pockets of the two SNPs for the four compounds are explicitly defined that will be very useful for conducting mutagenesis studies, providing insights into personalization of drug treatments and stimulating novel strategies for finding desired personalized drugs.

Keywords: CYP2C19, Cytochrome P-450, Structure-activity relationship, CEC, Fluvoxamine, Lescol, Ticlopidine, Personalized drug design

Order Reprints Order Eprints Rights & PermissionsPrintExport

Article Details

VOLUME: 15
ISSUE: 1
Year: 2008
Page: [27 - 32]
Pages: 6
DOI: 10.2174/092986608783330305