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The 3D putative binding modes of rosiglitazone or 7 with the ligand-binding domain (LBD) of PPAR-γ. (A) Rosiglitazone interacts with the key amino acid residues, Tyr473, His449, His323, Ser289 and Glu286, in the PPAR-γ binding pocket (−8.2 kcal/mol). (B) The binding mode of 7 (−8.4 kcal/mol), which interacts with the key amino acid residues, Tyr473, His323 and Ser289, in the PPAR-γ binding pocket.
