Fig. 5.

Major interactions established by key residues were identified using docking analysis. (A) Two-dimensional interaction diagram of the predicted binding mode of the ligands (Wy-14,643, antcin B, H, and K), PPARα, and bound water molecules (blue). Ligands are shown as black sticks with oxygen, nitrogen, chloride, sulfur and hydrogen atoms depicted in red, blue, green, yellow, and white, respectively. Hydrophobic and electrostatic interactions are indicated in green and pick, respectively. Hydrogen bonds are shown as dashed blue lines. (B) Venn diagram showing the overlapping numbers of key residues by antcin B, H and K. Twenty residues shared by antcins were listed in the box, and ten of them commonly interacted by Wy-14,643 were highlighted in bold.