TY - JOUR
T1 - Identification of novel antitubulin agents by using a virtual screening approach based on a 7-point pharmacophore model of the tubulin colchi-site
AU - Massarotti, Alberto
AU - Theeramunkong, Sewan
AU - Mesenzani, Ornella
AU - Caldarelli, Antonio
AU - Genazzani, Armando A.
AU - Tron, Gian Cesare
PY - 2011/12
Y1 - 2011/12
N2 - 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.
AB - 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.
KW - Colchicine
KW - Drug discovery
KW - Pharmacophore modeling
KW - Tubulin
KW - Virtual screening
UR - http://www.scopus.com/inward/record.url?scp=81355124033&partnerID=8YFLogxK
U2 - 10.1111/j.1747-0285.2011.01245.x
DO - 10.1111/j.1747-0285.2011.01245.x
M3 - Article
SN - 1747-0277
VL - 78
SP - 913
EP - 922
JO - Chemical Biology and Drug Design
JF - Chemical Biology and Drug Design
IS - 6
ER -