3D structure modeling of cytochrome P450 2C19 and its implication for personalized drug design

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

Research output: Contribution to journalArticle

127 Scopus citations

Abstract

Cytochrome P450 2C19 (CYP2C19) 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 strategies for finding desired personalized drugs.

Original languageEnglish (US)
Pages (from-to)513-519
Number of pages7
JournalBiochemical and Biophysical Research Communications
Volume355
Issue number2
DOIs
StatePublished - Apr 6 2007
Externally publishedYes

Keywords

  • CEC
  • CYP2C19
  • Cytochrome P-450
  • Fluvoxamine
  • Lescol
  • Personalized drug design
  • Structure-activity relationship
  • Ticlopidine

ASJC Scopus subject areas

  • Biophysics
  • Biochemistry
  • Molecular Biology
  • Cell Biology

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