CHAPTER 13: Drug–Drug Interactions: Computational Approaches
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Published:20 Nov 2015
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Special Collection: 2015 ebook collectionSeries: Drug Discovery Series
K. Rowland-Yeo and G. T. Tucker, in New Horizons in Predictive Drug Metabolism and Pharmacokinetics, ed. A. G. E. Wilson, The Royal Society of Chemistry, 2015, pp. 283-308.
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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.