Discovery, Structure-Activity Relationships, and In Vivo Activity of Dihydropyridone Agonists of the Bile Acid Receptor TGR5

J Med Chem. 2023 Sep 14;66(17):11732-11760. doi: 10.1021/acs.jmedchem.2c01881. Epub 2023 Aug 28.

Abstract

A novel series of potent agonists of the bile acid receptor TGR5 bearing a dihydropyridone scaffold was developed from a high-throughput screen. Starting from a micromolar hit compound, we implemented an extensive structure-activity-relationship (SAR) study with the synthesis and biological evaluation of 83 analogues. The project culminated with the identification of the potent nanomolar TGR5 agonist 77A. We report the GLP-1 secretagogue effect of our lead compound ex vivo in mouse colonoids and in vivo. In addition, to identify specific features favorable for TGR5 activation, we generated and optimized a three-dimensional quantitative SAR model that contributed to our understanding of our activity profile and could guide further development of this dihydropyridone series.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Animals
  • Bile Acids and Salts
  • Glucagon-Like Peptide 1
  • Mice
  • Quantitative Structure-Activity Relationship*
  • Transcription Factors*

Substances

  • Transcription Factors
  • Glucagon-Like Peptide 1
  • Bile Acids and Salts