原创力文档a systems biology approach to dynamic modeling and inter-subject variability of statin pharmacokinetics in human hepatocytes系统生物学的方法来动态建模和inter-subject可变性的他汀类药物动力学在人类肝细胞.pdfVIP
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a systems biology approach to dynamic modeling and inter-subject variability of statin pharmacokinetics in human hepatocytes系统生物学的方法来动态建模和inter-subject可变性的他汀类药物动力学在人类肝细胞
Bucher et al. BMC Systems Biology 2011, 5:66
/1752-0509/5/66
RESEARCH ARTICLE Open Access
A systems biology approach to dynamic
modeling and inter-subject variability of statin
pharmacokinetics in human hepatocytes
1,7 2 3 3 1,8 4
Joachim Bucher , Stephan Riedmaier , Anke Schnabel , Katrin Marcus , Gabriele Vacun , Thomas S Weiss ,
5 6 2 1*
Wolfgang E Thasler , Andreas K Nüssler , Ulrich M Zanger and Matthias Reuss
Abstract
Background: The individual character of pharmacokinetics is of great importance in the risk assessment of new
drug leads in pharmacological research. Amongst others, it is severely influenced by the properties and inter-
individual variability of the enzymes and transporters of the drug detoxification system of the liver. Predicting
individual drug biotransformation capacity requires quantitative and detailed models.
Results: In this contribution we present the de novo deterministic modeling of atorvastatin biotransformation
based on comprehensive published knowledge on involved metabolic and transport pathways as well as
physicochemical properties. The model was evaluated on primary human hepatocytes and parameter identifiability
analysis was performed under multiple experimental constraints. Dynamic simulations of atorvastatin
biotransformation considering the inter-individual variability of the two major involved enzymes CYP3A4 and
UGT1A3 based on quantitative protein expression data in a large human liver bank (n = 150) highlighted the
variability in the individual biotransformation profiles and therefore also points to the individuality of
pharmac
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