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The background to computational methods for the prediction of the extent of drug–drug interactions mediated by enzyme and transporter inhibition and induction, using both static and dynamic [physiologically based pharmacokinetic (PBPK)] modelling is reviewed. Four case studies are described to illustrate the application of the latter models in understanding and predicting complex interactions, especially when more than one drug is co-administered with the ‘victim’ compound and when the outcome is also dependent on a concomitant disease or genotype. The impact of PBPK modelling of drug–drug interactions with regard to regulation and labelling is considered, and future developments with regard to using such modelling as a basis for ‘personalised’/‘stratified’ drug dosage at the point of care are predicted.

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