The molecular basis of the interactions between synthetic retinoic acid analogues and the retinoic acid receptors.

ABSTRACT: All-trans-retinoic acid (ATRA) and its synthetic analogues EC23 and EC19 direct cellular differentiation by interacting as ligands for the retinoic acid receptor (RARα, β and γ) family of nuclear receptor proteins. To date, a number of crystal structures of natural and synthetic ligands complexed to their target proteins have been solved, providing molecular level snap-shots of ligand binding. However, a deeper understanding of receptor and ligand flexibility and conformational freedom is required to develop stable and effective ATRA analogues for clinical use. Therefore, we have used molecular modelling techniques to define RAR interactions with ATRA and two synthetic analogues, EC19 and EC23, and compared their predicted biochemical activities to experimental measurements of relat

SUBMITTER: Haffez H 

PROVIDER: S-EPMC6072416 | biostudies-literature | 2017 Mar

REPOSITORIES: biostudies-literature