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

Frontiers in Protein and Peptide Sciences

DOI: 10.2174/9781608058624114010006
eISBN: 978-1-60805-862-4, 2014
ISBN: 978-1-60805-863-1
ISSN: 2213-9877 (Print)

Indexed in: EBSCO.

Frontiers in Protein and Peptide Sciences is a book series focused on leading-edge research on the structure, physical properties, and functions of proteins and peptides. Authors of contributions in ...

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

Pp. 63-74 (12)

Jing-Fang Wang, Li-Na Ma, Dong-Qing Wei, Chao Chen, Yixue Li and 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.

Affiliation:

College of Life Science and Biotechnology, Shanghai Jiaotong University, Shanghai 200240, China.