Computational models for improved estimation of highly plasma-protein-bound compounds

Conference: ACS
Software: ADMET Predictor®
Division: Simulations Plus


Plasma protein binding is an important parameter for characterizing the pharmacokinetics of drug candidates. Binding affinities vary tremendously among compounds, affecting the free fraction in blood, which consequently affects such pharmacokinetic properties as volume of distribution, clearance, bioavailability, and elimination. Only unbound drug can interact with target proteins, so knowing the fraction unbound in plasma (Fup) is especially important for drugs with low Fup and narrow therapeutic index.

248th ACS National Meeting, August 10-14, 2014 San Francisco, CA

By Michael Lawless, Marvin Waldman, Robert D Clark, Walter S Woltosz