title: 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.
authors.forename: Giovanni
authors.initials: G
authors.lastname: Marzaro
authors.affiliation: Department of Pharmaceutical and Pharmacological Science, University of Padova, via Marzolo 5, I- 35131 Padova, Italy. giovanni.marzaro@unipd.it.
authors.forename: Adriana
authors.initials: A
authors.lastname: Chilin
mesh_terms: D000970:Antineoplastic Agents / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology; D001665:Binding Sites; D055808:Drug Discovery; D006801:Humans; D008024:Ligands; D062105:Molecular Docking Simulation; D009369:Neoplasms / Q000737:chemistry / Q000188:drug therapy / Q000473:pathology; D011485:Protein Binding; D047428:Protein Kinase Inhibitors / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology; D011494:Protein Kinases / Q000737:chemistry*; D021281:Quantitative Structure-Activity Relationship; D014404:Tubulin / Q000737:chemistry*; D050257:Tubulin Modulators / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology
chemical_list: D000970:Antineoplastic Agents; D008024:Ligands; D047428:Protein Kinase Inhibitors; D014404:Tubulin; D050257:Tubulin Modulators; D011494:Protein Kinases