Fig. 3.

Superimposed docking complexes of naphthoquinones NQs 1–6 and CPT with DNA-LTopIB complex. The structures shown correspond to the most stable pose predicted by Autodock-VINA for NQs 1–6. Both CPT and the tested ligands are shown atomistically, with CPT displayed as transparent wheat sticks. The regions A-D (see Fig. 2), are shown as green, blue, yellow, and pink cartoons, with the rest of the protein shown as grey cartoons. (For interpretation of the references to color in this figure legend, the reader is referred to the Web version of this article.)