Design of a partial PPARdelta agonist

Bioorg Med Chem Lett. 2007 Aug 15;17(16):4625-9. doi: 10.1016/j.bmcl.2007.05.079. Epub 2007 May 27.

Abstract

Structure based ligand design was used in order to design a partial agonist for the PPARdelta receptor. The maximum activation in the transactivation assay was reduced from 87% to 39%. The crystal structure of the ligand binding domain of the PPARdelta receptor in complex with compound 2 was determined in order to understand the structural changes which gave rise to the decrease in maximum activation.

MeSH terms

  • Butyrates / chemistry*
  • Butyrates / pharmacology*
  • Drug Design
  • Models, Molecular
  • Molecular Structure
  • PPAR delta / agonists*
  • Phenylurea Compounds / chemistry*
  • Phenylurea Compounds / pharmacology*
  • Structure-Activity Relationship
  • Thiazoles / chemistry*
  • Thiazoles / pharmacology*

Substances

  • Butyrates
  • GW 2433
  • GW 501516
  • PPAR delta
  • Phenylurea Compounds
  • Thiazoles

Associated data

  • PDB/2Q5G