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

<div>The generated pharmacophore model in the colchicine binding site of tubulin. (a) Pharmacophore features are color-coded: purple, two hydrogen bond donor features (F1&amp; F2: Don); orange, one aromatic feature (F3: Aro); green, one hydrophobic feature (F4: Hyd). (b) 3D spatial relationship and distance between pharmacophore features (Å).</div>

Computational and Mathematical Methods in Medicine

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Figure 8

Figure 8: <i>In Silico</i> Exploration of Novel Tubulin Inhibitors: A Combination of Docking and Molecular Dynamics Simulations, Pharmacophore Modeling, and Virtual Screening 

Figure 8 | In Silico Exploration of Novel Tubulin Inhibitors: A Combination of Docking and Molecular Dynamics Simulations, Pharmacophore Modeling, and Virtual Screening 