Identification of novel antitubulin agents by using a virtual screening approach based on a 7-point pharmacophore model of the tubulin colchi-site

Alberto Massarotti, Sewan Theeramunkong, Ornella Mesenzani, Antonio Caldarelli, Armando A. Genazzani, Gian Cesare Tron

Risultato della ricerca: Contributo su rivistaArticolo in rivistapeer review

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.

Lingua originaleInglese
pagine (da-a)913-922
Numero di pagine10
RivistaChemical Biology and Drug Design
Volume78
Numero di pubblicazione6
DOI
Stato di pubblicazionePubblicato - dic 2011

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