Cytochrome P450 and Drug Metabolism
The Cytochrome P450 (CYP) enzymes constitute one of the most effective defense systems in the organism against foreign compounds (
The aim of this work is to develop and apply methods which are able to predict which compounds will bind and eventually be
We make use of and develop computer-based methods for this purpose. For example, we have applied machine-learning and QSAR-based methods for classification of substrates and
SMARTCyp is a method for prediction of drug metabolism mediated by cytochrome P450 2C9, 2D6 and 3A4, as well as a general reactivity model applicable to any P450 isoform.
More information on SMARTCyp as well as