Figure 4.

Insights into drug design and molecular docking studies. (A) IC261 molecular Design Strategy. (B) Three-dimensional (3D) schematic diagram of the binding model of eight candidate compounds with tubulin. The eight candidate compounds are shown as grey sticks, the oxygen atoms are shown in red, and the nitrogen atoms are shown in blue. Interactions between the molecules and amino acid residues are labeled with dotted lines, van der Waals is shown in green, carbon hydrogen bond is shown in light green, conventional hydrogen bond is shown in bottle green, pi-alkyl is shown in pink, amide-pi stacked is shown in deep pink, and pi-sulfur is shown in yellow.