Physiologically Based Pharmacokinetic (PBPK) Modeling and Simulation: Applications in Lead Optimization

Curr Opin Drug Discov Devel. 2009 Jul;12(4):509-18.


Physiologically based pharmacokinetics (PBPK) models are increasingly being used in the lead optimization (LO) process. Although there are currently few literature reports of the application of PBPK, the scope of PBPK modeling is expanding and there is a steady increase in the number of publications in this field. Recent publications covering four important areas of the application of PBPK modeling in LO have been reviewed.

Publication types

  • Review

MeSH terms

  • Animals
  • Computer Simulation*
  • Drug Discovery / methods*
  • Drug Interactions
  • Drug-Related Side Effects and Adverse Reactions
  • Humans
  • Models, Biological*
  • Pharmaceutical Preparations* / chemistry
  • Pharmaceutical Preparations* / metabolism
  • Pharmacokinetics*
  • Physiology*


  • Pharmaceutical Preparations