SAR and Computer-Aided Drug Design Approaches in the Discovery of Peroxisome Proliferator-Activated Receptor γ Activators: A Perspective
Figure 5
Active site shape and volumes occupied by PPARγ ligands. First row shows PPARγ full agonists: RGZ (a), PGZ (b), Barbituric acid derivative (c), and moderate agonist MRL20 (d). Second row shows PPARγ partial agonists: Farglitazar (e), clofibric acid analogue (f), BVT.13 (g), and MRL24 (h). Docked poses were used for active site analysis for PGZ and barbituric acid analogue. Calculations were performed using PocketFinder which is a modification of LigSite [17].
