Software Supported Modelling in Pharmacokinetics
A powerful new software concept to physiologically based pharmacokinetic (PBPK) modelling of drug disposition is presented. It links the inherent modular understanding in pharmacology with orthogonal design principles from software engineering. This concept allows for flexible and user-friendly design of pharmacokinetic whole body models, data analysis, hypotheses testing or extrapolation. The typical structure of physiologically-based pharmacokinetic models is introduced. The resulting requirements from a modelling and software engineering point of view and its realizations in the software tool MEDICI-PK  are described. Finally, an example in the context of drug-drug interaction studies is given that demonstrates the advantage of defining a whole-body pharmacokinetic model in terms of the underlying physiological processes quite impressively: A system of 162 ODEs is automatically compiled based on the specification of 7 local physiological processes only.
Unable to display preview. Download preview PDF.
- 2.Butler, D.: Wartime tactic doubles power of scarce bird-flu drug. Nature 438(6) (2005)Google Scholar
- 7.Hill, G., Cihlar, T., OO, C., Ho, E.S., Prior, K., Wiltshire, H., Barrett, J., Liu, B., Ward, P.: The Anti-Influenza Drug Oseltamivir Exhibits Low Potential To Induce Pharmacokinetic Drug Interactions Via Renal Secretion—Correlation Of In Vivo And In Vitro Studies. Drug Metabolism and Disposition 30(1), 13–19 (2002)CrossRefGoogle Scholar
- 9.Huisinga, W., Telgmann, R., Wulkow, M.: The Virtual Lab Approach to Pharmacokinetics: Design Principles and Concept. Drug Discovery Today (accepted, 2006) Google Scholar
- 10.Rowland, M., Balant, L., Peck, C.: Physiologically Based Pharmacokinetics. In: Drug Development and Regulatory Science: A Workshop Report, Georgetown University, Washington, DC, May 29-30, 2002, AAPS Pharmaceutical Science 6 (1), 1–12 (2004)Google Scholar
- 11.von Kleist, M., Huisinga, W.: Hierachical Approach to Physiologically Based Pharmacokinetics: Refining Models with Increasing Knowledge (in preparation, 2006)Google Scholar
- 12.Gibaldi, M., Perrier, D.: Pharmacokinetics, 2nd edn. Marcel Dekker, New York (1982)Google Scholar