Research Article

In Silico Exploration of Novel Tubulin Inhibitors: A Combination of Docking and Molecular Dynamics Simulations, Pharmacophore Modeling, and Virtual Screening

Figure 2

(a) Hydrogen bonding of 9ІV-c with colchicine binding site of tubulin (purple dashed line). (b) Binding pose and hydrophobic interactions of 9ІV-c with tubulin. (c) Comparison of the docking mode of 9ІV-c (red) and colchicine (blue) in active site of colchicine in tubulin.