HTPK: Conducting PK modeling and simulations at high speed

Authors: Fraczkiewicz R, Miller D, Waldman M, Clark RD
Conference: AAPS
Keywords: drug discovery, In silico pharmacokinetic (PK) simulations, in vivo drug efficacy, physiologically-based PK (PBPK) studies, pk simulations
Software: ADMET Predictor®
Division: Simulations Plus

Purpose

In silico pharmacokinetic (PK) simulations are now routinely incorporated into drug development workflows, especially in the later stages. Such simulations can provide insight into the results of Phase I/II clinical trials, which is crucial to deciding when or if to progress a drug candidate. For example, the best way to identify reasons for the lack of in vivo drug efficacy is through full-scale physiologically-based PK (PBPK) studies. There is no fundamental reason, however, not to use PK simulations in drug discovery. Practical arguments against doing so were computational cost and availability of appropriate input parameters. We present and test a new method that addresses these problems

2018 AAPS Annual Meeting PharmSci 360, November 4-7, 2018, Washington, DC

By Robert Fraczkiewicz, David Miller, Marvin Waldman, and Robert D Clark