Research Article

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

Table 2

Two-dimensional representations of compounds retrieved from the IBScreen database.

CompoundsIBScreen IDStructuresBinding energies (kcal/mol)

aSTOCK4S-95238-7.842
bSTOCK1S-15990-10.498
cSTOCK6S-14477-10.083
dSTOCK3S-48351-8.014
eSTOCKIS-43560-8.350