Simulation of Absorption, Metabolism, and Bioavailability

Authors: Bolger MB, Agoram B, Fraczkiewicz R, Steere B
Publication: Drug Bioavailability: Estimation of Solubility, Permeability, Absorption and Bioavailability
Keywords: absorption simulation, active transport, Advanced Compartmental Absorption and Transit (ACAT™) model, automatic scaling, bioavailability, computational alerts, efflux, mechanistic simulation, metabolism, oral absorption
Software: GastroPlus®
Division: PBPK

Summary

This chapter contains sections titled:

  • Introduction: Simulation Studies Relevant to Oral Absorption
  • Background
  • Use of Rule‐Based Computational Alerts in Early Discovery
  • Mechanistic Simulation (ACAT models) in Early Discovery
    • Automatic Scaling of k′a as a Function of Peff, pH, and log D
    • Mechanistic Correction for Active Transport and Efflux
  • Mechanistic Simulation of Bioavailability (Drug Development)
  • Conclusions

By Michael B Bolger & Robert Fraczkiewicz