3.4. Molecular docking analysis
Protein-ligand interactions are crucial in understanding the biological regulatory process and provide a theoretical foundation for the development and identification of novel therapeutic targets. The PPARs have large Y-shaped binding pocket composed of three sub-arms (Arm-I, Arm-II and Arm-III). Arm-I and Arm-II of PPAR show significant homology whereas the Arm-III is less conserved. The difference between the residues of the binding pocket of each PPAR is represented in the The three-dimensional view of the residues of the binding pocket of (A) PPARα, (B) PPARγ, (C) PPARδ shows the difference between them. (D) The alignment of the binding site residues of the human PPAR subtypes. The black, bold and gray color represents identical residues, residues with same chemical character and residues with different chemical character, respectively [