Concentration-Dependent Binding of Small Ligands to Multiple Saturable Sites in Membrane Proteins.

ABSTRACT: Membrane proteins are primary targets for most therapeutic indications in cancer and neurological diseases, binding over 50% of all known small molecule drugs. Understanding how such ligands impact membrane proteins requires knowledge on the molecular structure of ligand binding, a reasoning that has driven relentless efforts in drug discovery and translational research. Binding of small ligands appears however highly complex involving interaction to multiple transmembrane protein sites featuring single or multiple occupancy states. Within this scenario, looking for new developments in the field, we investigate the concentration-dependent binding of ligands to multiple saturable sites in membrane proteins. The study relying on docking and free-energy perturbation provides us with an extens

SUBMITTER: Stock L 

PROVIDER: S-EPMC5516019 | biostudies-literature | 2017 Jul

REPOSITORIES: biostudies-literature