The mechanism of the cooperative binding of CYP2C9 ligands: Insights from molecular dynamics simulations

Research output: Contribution to conferenceAbstractpeer-review


Cytochrome P450 2C9 (CYP2C9) is an enzyme of major importance in human drug metabolism. Substrates of CYP2C9 include NSAIDs, phenytoin, S-warfarin and sulfonylurea hypoglycaemic agents. Experimental techniques such as X-ray crystallography have allowed the identification of substrate and inhibitor binding domains of CYP proteins. However, the structures elucidated by X-ray crystallography are static and data are limited in terms of the thermodynamics of binding and movements of individual amino acids. Furthermore, the structural basis of the heterotropic cooperativity observed due to the simultaneous binding of ligands to CYP2C9 and other P450 enzymes is incompletely understood.
Original languageEnglish
Number of pages1
Publication statusPublished - 2019
EventInternational Conference on Cytochrome P450 - University of Queensland, Brisbane, Australia
Duration: 23 Jun 201927 Jun 2019 (Conference program)


ConferenceInternational Conference on Cytochrome P450
Abbreviated titleICCP450
OtherCCP450 in Australia will bring together researchers and students from diverse disciplines who study P450s from various perspectives and for different reasons. The conference programme will consist of a rich schedule of presentations at the forefront of P450 research in four overarching themes:

* P450 biochemistry, biophysics and structural biology
* P450s in drug metabolism and disease
* P450s across the biosphere: microbes, plants and insects and their interactions
* Synthetic biology of P450s: engineering novel systems for pharmaceutical and other applications
Internet address


  • Cytochrome P450 2C9
  • enzymes
  • Drug metabolism


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