Molecular Modeling of Drug-Transporter Interactions-An International Transporter Consortium Perspective.

ABSTRACT: Membrane transporters play diverse roles in the pharmacokinetics and pharmacodynamics of small-molecule drugs. Understanding the mechanisms of drug-transporter interactions at the molecular level is, therefore, essential for the design of drugs with optimal therapeutic effects. This white paper examines recent progress, applications, and challenges of molecular modeling of membrane transporters, including modeling techniques that are centered on the structures of transporter ligands, and those focusing on the structures of the transporters. The goals of this article are to illustrate current best practices and future opportunities in using molecular modeling techniques to understand and predict transporter-mediated effects on drug disposition and efficacy.Membrane transporters from the sol

SUBMITTER: Schlessinger A 

PROVIDER: S-EPMC6197929 | biostudies-literature | 2018 Nov

REPOSITORIES: biostudies-literature