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

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

Computational and Mathematical Methods in Medicine

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Figure 2: <i>In Silico</i> Exploration of Novel Tubulin Inhibitors: A Combination of Docking and Molecular Dynamics Simulations, Pharmacophore Modeling, and Virtual Screening 

Figure 2 | In Silico Exploration of Novel Tubulin Inhibitors: A Combination of Docking and Molecular Dynamics Simulations, Pharmacophore Modeling, and Virtual Screening 