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Identification of Novel Antitubulin Agents by Using a Virtual Screening Approach Based on a 7‐Point Pharmacophore Model of the Tubulin Colchi‐Site
Author(s) -
Massarotti Alberto,
Theeramunkong Sewan,
Mesenzani Ornella,
Caldarelli Antonio,
Genazzani Armando A.,
Tron Gian Cesare
Publication year - 2011
Publication title -
chemical biology and drug design
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.59
H-Index - 77
eISSN - 1747-0285
pISSN - 1747-0277
DOI - 10.1111/j.1747-0285.2011.01245.x
Subject(s) - pharmacophore , virtual screening , in silico , computational biology , identification (biology) , tubulin , colchicine , chemistry , computer science , combinatorial chemistry , biology , microtubule , stereochemistry , biochemistry , microbiology and biotechnology , genetics , botany , gene
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.