Synthesis, molecular modeling and biological evaluation of guanidine derivatives as novel antitubulin agents

Compound 4q showed the most potent biological activity (IC50 = 0.09 ± 0.01 μM for MCF-7 and IC50 = 8.4 ± 0.6 μM for tubulin), which is comparable to the positive controls. Docking simulation was performed to position compound 4q into the colchicine binding site to determine the probable binding model, which suggested probable inhibition mechanism. Antitubulin polymerization, antiproliferative assay and docking simulation results showed the compound 4q was a potential anticancer agent.