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

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

Volume: 15 Issue: 1

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

Affiliation:

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

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.

Cite this article as:

Wei Dong-Qing, Wang Jing-Fang, Chen Chao, Li Yixue and Chou Kuo-Chen, Molecular Modeling of Two CYP2C19 SNPs and Its Implications for Personalized Drug Design, Protein & Peptide Letters 2008; 15 (1) . https://dx.doi.org/10.2174/092986608783330305

DOI https://dx.doi.org/10.2174/092986608783330305	Print ISSN 0929-8665
Publisher Name Bentham Science Publisher	Online ISSN 1875-5305