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Predicting interactions with drug metabolizing enzymes

Patrik Rydberg (University of Copenhagen)

In this workshop we will look at tools and databases that give information on interactions between xenobiotics and drug metabolizing enzymes. The focus will be on the XMetDB database and the software WhichCyp and SMARTCyp, but we will also look at other available tools covering this area.
The XMetDB database gives access to published experimental data, and the possibility to search for compounds similar to the ones of interest both through a web interface and using an open API.
The WhichCyp software predicts inhibition of the five major CYP isoforms in humans, and the SMARTCyp software predicts how a compound can be metabolized. Both can be used both as web servers and command line java programs.

An extensive guidance to the workshop activities is available at

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