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

Figure 7

A diagrammatic representation of interactions between ligand 9ІV-c at the active site of tubulin after 100 ns molecular dynamics simulation. The green dotted lines represent hydrogen bond interaction, and red arcs with radiating spokes represent the amino acids showing hydrophobic interaction with protein. Carbon, nitrogen, and oxygen atoms have been shown in black, blue, and red, respectively. The violet lines represent the ligand bond.