Statistical Analysis of Protein-Ligand Interaction Patterns in Nuclear Receptor RORγ.

ABSTRACT: The receptor RORγ belongs to the nuclear receptor superfamily that senses small signaling molecules and regulates at the gene transcription level. Since RORγ has a high basal activity and plays an important role in immune responses, inhibitors targeting this receptor have been a focus for many studies. The receptor-ligand interaction is complex, and often subtle differences in ligand structure can determine its role as an inverse agonist or an agonist. We examined more than 130 existing RORγ crystal structures that have the same receptor complexed with different ligands. We reported the features of receptor-ligand interaction patterns and the differences between agonist and inverse agonist binding. Specific changes in the contact interaction map are identified to distinguish active and ina

SUBMITTER: Pham B 

PROVIDER: S-EPMC9240913 | biostudies-literature | 2022

REPOSITORIES: biostudies-literature