Cyprotex, a specialist contract research organisation, has launched DDI-Fusion, which predicts human drug-drug interactions (DDI) from chemical structure combined with in vitro data.
Drug-drug interactions occur when multiple drugs are administered to a patient and one or more of these drugs have the ability to interact with the metabolism or transport of the co-administered drug(s), leading to changes in plasma concentrations and potentially reduced efficacy (therapeutic effect) or enhanced toxicity.
It says the importance of DDI is growing due to the ageing population and the increasing use of polypharmacy with this population and in other conditions such as cancer or HIV.
DDI-Fusion utilises Cyprotex's chemPK tool to predict key pharmacokinetic parameters as inputs to the model.
It combines these inputs with in vitro data related to DDI mediated via CYP3A4, one of the main drug metabolising enzymes in the body, in order to predict the potential effects on drugs metabolised by this enzyme.
The software can also be used to predict interactions with other metabolising enzymes within the body. DDI-Fusion has several advantages over existing techniques in that it uses robust physiologically-based pharmacokinetic (PBPK) modelling techniques and does not require any clinical data as inputs to the model.