Ontology highlight
ABSTRACT:
SUBMITTER: Macchiarulo A
PROVIDER: S-EPMC4027510 | biostudies-literature | 2013 Dec
REPOSITORIES: biostudies-literature
ACS medicinal chemistry letters 20131015 12
TGR5 is a G-protein-coupled receptor (GPCR) mediating cellular responses to bile acids (BAs). Although some efforts have been devoted to generate homology models of TGR5 and draw structure-activity relationships of BAs, none of these studies has hitherto described how BAs bind to TGR5. Here, we present an integrated computational, chemical, and biological approach that has been instrumental to determine the binding mode of BAs to TGR5. As a result, key residues have been identified that are invo ...[more]