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http://hdl.handle.net/10261/134327
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dc.contributor.author | Canela, María-Dolores | - |
dc.contributor.author | Bueno, Oskia | - |
dc.contributor.author | Noppen, Sam | - |
dc.contributor.author | Sáez-Calvo, Gonzalo | - |
dc.contributor.author | Estévez-Gallego, Juan | - |
dc.contributor.author | Díaz, José Fernando | - |
dc.contributor.author | Camarasa Rius, María José | - |
dc.contributor.author | Liekens, Sandra | - |
dc.contributor.author | Peréz-Pérez, María-Jesús | - |
dc.contributor.author | Priego, Eva María | - |
dc.date.accessioned | 2016-07-01T10:15:10Z | - |
dc.date.available | 2016-07-01T10:15:10Z | - |
dc.date.issued | 2016 | - |
dc.identifier | doi: 10.1039/c5ra26807a | - |
dc.identifier | issn: 2046-2069 | - |
dc.identifier.citation | RSC Advances 6: 19492-19506 (2016) | - |
dc.identifier.uri | http://hdl.handle.net/10261/134327 | - |
dc.description.abstract | Cyclohexanedione 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. | - |
dc.description.sponsorship | M.-D. C. thanks the Fondo Social Europeo (FSE) and the JAE Predoc Programme for a predoctoral fellowship. This project has been supported by the Spanish Ministerio de Econom´ıa y Competitividad (SAF2012-39760-C02-01 to E.-M. P, M.-J. P.-P. and M.-J. C and BIO2013-42984-R to J. F. D.), and Comunidad de Madrid (BIPEDD2; ref. P2010/BMD-2457 to M.-J. C and J. F. D.). J. F. D. acknowledges networking contribution by the COST Action CM1407 “Challenging organic synthesis inspired by nature-from natural products chemistry to drug discovery” and the COST action CM1470. We also wish to thank Eef Meyen and Lizette van Berckelaer for excellent technical assistance | - |
dc.publisher | Royal Society of Chemistry (UK) | - |
dc.rights | closedAccess | - |
dc.title | Targeting the colchicine site in tubulin through cyclohexanedione derivatives | - |
dc.type | artículo | - |
dc.identifier.doi | 10.1039/c5ra26807a | - |
dc.relation.publisherversion | http://dx.doi.org/10.1039/c5ra26807a | - |
dc.date.updated | 2016-07-01T10:15:10Z | - |
dc.description.version | Peer Reviewed | - |
dc.language.rfc3066 | eng | - |
dc.contributor.funder | Comunidad de Madrid | - |
dc.contributor.funder | Ministerio de Economía y Competitividad (España) | - |
dc.relation.csic | Sí | - |
dc.identifier.funder | http://dx.doi.org/10.13039/501100003329 | es_ES |
dc.identifier.funder | http://dx.doi.org/10.13039/100012818 | es_ES |
dc.type.coar | http://purl.org/coar/resource_type/c_6501 | es_ES |
item.fulltext | No Fulltext | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.cerifentitytype | Publications | - |
item.grantfulltext | none | - |
item.openairetype | artículo | - |
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