Prediction of Caco-2 pH-Dependent Permeability based on High Quality in vitro Training Set

Purpose.  The goal of the study is to predict the pH-dependent permeability profiles of drugs in a Caco-2 assay, based on an in combo procedure using measured PAMPA permeability values and calculated Abraham (alpha, beta, pi, R, Vx) descriptors.

Conclusion.  The ability to predict with confidence how Caco-2 permeability will depend on the physicochemical properties of a drug is important in both planning measurements of practically-insoluble molecules and interpreting the results of difficult measurements.  The method we developed appears to be useful in saving cost, by avoiding poorly-designed assay protocols, and in some cases, altogether avoiding the need for the costly measurements.