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 http://goo.gl/G6dBCa