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Physiologically Based Modelling and Prediction of Drug Interactions
Author(s) -
Bois Frédéric Y.
Publication year - 2010
Publication title -
basic and clinical pharmacology and toxicology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.805
H-Index - 90
eISSN - 1742-7843
pISSN - 1742-7835
DOI - 10.1111/j.1742-7843.2009.00488.x
Subject(s) - physiologically based pharmacokinetic modelling , computer science , markup language , pharmacokinetics , drug development , software , biochemical engineering , computational biology , drug , pharmacology , biology , engineering , xml , programming language , operating system
A major challenge for drug development and environmental or occupational health is the prediction of pharmacokinetic and pharmacodynamic interactions between drugs, natural chemicals or environmental contaminants. This article reviews briefly past developments in the area of physiologically based pharmacokinetic (PBPK) modelling of interactions. It also demonstrates a systems biology approach to the question, and the capabilities of new software tools to facilitate that development. Individual Systems Biology Markup Language models of metabolic pathways can now be automatically merged and coupled to a template PBPK pharmacokinetic model, using for example the GNU MCSim software. The global model generated is very efficient and able to simulate the interactions between a theoretically unlimited number of substances. Development time and the number of model parameter increase only linearly with the number of substances considered, even though the number of possible interactions increases exponentially.