Using the Variable-Nearest Neighbor Method To Identify P-Glycoprotein Substrates and Inhibitors.

ABSTRACT: Permeability glycoprotein (Pgp) is an essential membrane-bound transporter that efficiently extracts compounds from a cell. As such, it is a critical determinant of the pharmacokinetic properties of drugs. Multidrug resistance in cancer is often associated with overexpression of Pgp, which increases the efflux of chemotherapeutic agents from the cell. This, in turn, may prevent an effective treatment by reducing the effective intracellular concentrations of such agents. Consequently, identifying compounds that can either be transported out of the cell by Pgp (substrates) or impair Pgp function (inhibitors) is of great interest. Herein, using publically available data, we developed quantitative structure-activity relationship (QSAR) models of Pgp substrates and inhibitors. These models empl

SUBMITTER: Schyman P 

PROVIDER: S-EPMC6044698 | biostudies-literature | 2016 Nov

REPOSITORIES: biostudies-literature