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Título

Targeting the colchicine site in tubulin through cyclohexanedione derivatives

AutorCanela, María-Dolores CSIC; Bueno, Oskia CSIC; Noppen, Sam; Sáez-Calvo, Gonzalo CSIC; Estévez-Gallego, Juan CSIC ORCID ; Díaz, José Fernando CSIC ORCID ; Camarasa Rius, María José CSIC ORCID; Liekens, Sandra; Peréz-Pérez, María-Jesús CSIC ORCID ; Priego, Eva María CSIC ORCID
Fecha de publicación2016
EditorRoyal Society of Chemistry (UK)
CitaciónRSC Advances 6: 19492-19506 (2016)
ResumenCyclohexanedione derivatives represent a new family of colchicine-site binders that were identified through a ligand-based virtual screening approach. Structural modifications have now been performed at both distal sites of our identified hit [2-(1-((2-methoxyphenyl)amino)ethylidene)-5-phenylcyclohexane-1,3-dione (4)] in order to improve tubulin binding affinity, anti-proliferative activity and/or aqueous solubility. The results obtained indicate that the 2-methoxyphenyl ring, the fragment located closer to the αβ-tubulin interface according to docking studies, is the one that allows structural variation in order to improve the K value against tubulin (as in compound 20a with a K = 1.3 × 10 M, analogous to colchicine) or to improve aqueous solubility, as in compound 22c, being more than 10 times more soluble than the previous hit 4.
Versión del editorhttp://dx.doi.org/10.1039/c5ra26807a
URIhttp://hdl.handle.net/10261/134327
DOI10.1039/c5ra26807a
Identificadoresdoi: 10.1039/c5ra26807a
issn: 2046-2069
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