3D structure modeling of cytochrome P4502C19 and its implication for personalized drug design

Wang, Jing-Fang
Wei, Dong-Qing
Li, Lin
Zheng, Si-Yuan
Li, Yi-Xue
Chou, Kuo-Chen

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Publication date

January 2007

DOI

10.1016/j.bbrc.2007.01.185

Publisher

生物化学与生物物理学研究通讯

ISSN

0006-291X

Journal

issn:0006-291X

Citation count (estimate)

Abstract

Cytochrome P450 2C19 (CYP209) is a member of the cytochrome P-450 enzyme superfamily and plays an important role in the metabolism of drugs. In order to gain insights for developing personalized drugs, the 3D (dimensional) structure of CYP2C19 has been developed based on the crystal structure of CYP2C9 (PDB code 1R90), and its structure-activity relationship with the ligands of CEC, Fluvoxamine, Lescol, and Ticlopidine investigated through the structure-activity relationship approach. By means of a series of docking studies, the binding pockets of CYP2C19 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 ...

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3D structure modeling of cytochrome P4502C19 and its implication for personalized drug design

Abstract

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3D structure modeling of cytochrome P4502C19 and its implication for personalized drug design

Abstract

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