3D-QSAR and Docking Studies of a Series of β-Carboline Derivatives as Antitumor Agents of PLK1

Figure 4

Docked binding mode of compound 57 into active site of the PLK1 (PDB code 2WOB). The protein key residues that form the main interactions with the different structural units of the inhibitor are labeled. Hydrogen bonds are represented as red dots. The 𝜋-𝜋 stacking interaction between PHE183 and compound 57 is shown as an orange line.