Figure 5.

Homology model and docking studies of PfPK6 inhibitors. Proposed binding modes of IKK16 (A), 9g (B), 18n (C), and 18r (D) in the developed homology model of PfPK6. Protein backbone is shown as a gray cartoon and the important residues in the binding site are displayed as gray sticks. Ligands are shown as cyan sticks with important polar contacts displayed as red dashed lines. The hinge region is colored green, and the hydrophobic contact between the 4-chloropyrimidine of 18r and F99 is indicated by a red dashed circle (D).