QSAR and 3D-QSAR models in the field of tubulin inhibitors as anticancer agents

Abstract

Microtubules are high dynamic protein filaments fundamental for cells growth and proliferation. Hence, tubulin inhibitors are useful anticancer compounds. Three major binding site have been identified in tubulin, on the basis of known ligands: the vinca domain, the colchicine domain and the taxane domain. Several compounds able to bind the colchicine and the taxane domains have been to date synthesized and evaluated. In this review we give a description of the developed QSAR and 3D-QSAR models, giving particular attention to those studies that give structural insight in the binding modes of compounds with the target.