New PPARγ ligands based on barbituric acid: Virtual screening, synthesis and receptor binding studies

A new series of PPARγ ligands based on barbituric acid (BA) has been designed employing virtual screening and molecular docking approach. To validate the computational approach, designed molecules were synthesized and evaluated in in vitro radioligand binding studies. Out of the total 14 molecules, 6 were found to bind to the murine PPARγ with IC50 ranging from 0.1 to 2.5 μM as compared to reference standard, pioglitazone (IC50 = 0.7 μM).

Graphical abstractBarbituric acid was identified as a new acid head group for the design of novel PPARγ ligands using virtual screening, synthesis and radio ligand binding analysis.Figure optionsDownload full-size imageDownload as PowerPoint slide