Exploring Ligand Binding Domain Dynamics in the NRs Superfamily.

ABSTRACT: Nuclear receptors (NRs) are transcription factors that play an important role in multiple diseases, such as cancer, inflammation, and metabolic disorders. They share a common structural organization composed of five domains, of which the ligand-binding domain (LBD) can adopt different conformations in response to substrate, agonist, and antagonist binding, leading to distinct transcription effects. A key feature of NRs is, indeed, their intrinsic dynamics that make them a challenging target in drug discovery. This work aims to provide a meaningful investigation of NR structural variability to outline a dynamic profile for each of them. To do that, we propose a methodology based on the computation and comparison of protein cavities among the crystallographic structures of NR LBDs. First, po

SUBMITTER: D'Arrigo G 

PROVIDER: S-EPMC9369052 | biostudies-literature | 2022 Aug

REPOSITORIES: biostudies-literature