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.
