title: Identification of novel antitubulin agents by using a virtual screening approach based on a 7-point pharmacophore model of the tubulin colchi-site.
abstract: Tubulin inhibition represents an established target in the field of anticancer research, and over the last 20 years, an intensive search for new antimicrotubule agents has occurred. Indeed, in silico models have been presented that might aid the discovery of novel agents. Among these, a 7-point pharmacophore model has been recently proposed. As a formal proof of this model, we carried out a ligand-based virtual screening on the colchicine-binding site. In vitro testing demonstrated that two compounds displayed a cytotoxic profile on neuroblastoma cancer cells (SH-SY5H) and one had an antitubulinic profile.
authors: Dipartimento di Scienze Chimiche, Alimentari, Farmaceutiche e Farmacologiche, Università degli Studi del Piemonte Orientale 'A. Avogadro', Via Bovio 6, 28100 Novara, Italy. alberto.massarotti@pharm.unipmn.it
authors: Alberto
authors: A
authors: Massarotti
authors: Sewan
authors: S
authors: Theeramunkong
authors: Ornella
authors: O
authors: Mesenzani
authors: Antonio
authors: A
authors: Caldarelli
authors: Armando A
authors: AA
authors: Genazzani
authors: Gian Cesare
authors: GC
authors: Tron
mesh_terms: D001665:Binding Sites; D045744:Cell Line, Tumor; D003078:Colchicine / Q000737:chemistry*; D016208:Databases, Factual; D004354:Drug Screening Assays, Antitumor; D006801:Humans; D008024:Ligands; D008958:Models, Molecular; D013329:Structure-Activity Relationship; D014404:Tubulin / Q000737:chemistry* / Q000378:metabolism; D050257:Tubulin Modulators / Q000737:chemistry* / Q000494:pharmacology
chemical_list: D008024:Ligands; D014404:Tubulin; D050257:Tubulin Modulators; D003078:Colchicine