Peroxisome proliferator activated receptors-γ, PPAR-γ, one of the nuclear receptors expressed in heart, skeletal muscle and adipose tissue is known to lower blood glucose levels by its activation, and is therefore a target for the development of diabetes drugs. In this study, we performed docking simulations and fragment molecular orbital calculations on PPAR-γ and its experimentally predicted activators as a starting point for a joint experimental and simulation study. Then, we predicted the complex structures of PPAR-γ and the activators and analyzed the interaction between the amino acid residues in PPAR-γ and the activators.
