Applying QSAR and PBPK Modeling to Bridge Discovery and Assessment of Clinical Potential
Michael Bolger, Ph.D., Chief Scientist and Ted Grasela, Ph.D., President, Simulations Plus; Lancaster, CA
Mechanistic absorption and physiologically-based pharmacokinetic models play an ever increasing role in assessing the clinical potential of compounds in discovery, guiding the selection of lead compounds, and optimizing their chances for commercial success. There are many important questions about how to best develop and apply these models. What are the best sources of input parameters: bottom up (in silico and in vitro) or top down (in vivo)? How reliable are the simulation results? Should these models play a role in dose estimation for First-in-Human (FIH) clinical studies? Can these be used for regulatory submissions and potential biowaivers?