In silico study of new structural alerts of agents clastogenic

Simple item page
dc.contributor.affiliationUniversidade de Santiago de Compostela. Departamento de Química Orgánicagl
dc.contributor.authorGuardado Yordi, Estela
dc.contributor.authorMatos, Maria João Correia Pinto Carvalho de
dc.contributor.authorUriarte Villares, Eugenio
dc.contributor.authorPérez Martínez, Amaury
dc.contributor.authorSantana Penín, María Lourdes
dc.contributor.authorMolina, Enrique
dc.date.accessioned2021-04-12T08:01:35Z
dc.date.available2021-04-12T08:01:35Z
dc.date.issued2016
dc.description.abstractNatural polyphenols and their derivatives from diet have been reported by their pro-oxidant and clastogenic activities. In an aim of elucidating structural alerts for this genotoxicity endpoint, a QSTR study was conducted under the TOPS-MODE approach. It was possible to establish structural alerts from the DNA oxidative damage as an endpoint of clastogenicity at optimum leaders with high probability of being clastogenic. Some important fragments to obviate this activity were also identified. The results constitute a reference system for designing new food or pharmaceutical matrices as an alternative to the experimental toxicologygl
dc.identifier.citationGuardado Yordi, E., Matos, M.J., Uriarte, E., Pérez Martínez, A., Santana, L. & Molina, E. (2016). In silico study of new structural alerts of agents clastogenic. In J.A. Seijas, M.P. Vázquez Tato & S.K. Lin. (Ed.), Proceedings ECSOC-20: The 20Th International Electronic Conference On Synthetic Organic Chemistry: November 1-30, 2016. MDPI. doi: 10.3390/ecsoc-20-e021gl
dc.identifier.doi10.3390/ecsoc-20-e021
dc.identifier.isbn978-3-03842-192-4
dc.identifier.urihttp://hdl.handle.net/10347/25745
dc.language.isoenggl
dc.publisherMDPIgl
dc.relation.ispartofseriesElectronic Conference on Synthetic Organic Chemistry;20
dc.relation.publisherversionhttps://doi.org/10.3390/ecsoc-20-e021gl
dc.rights© 2016 by MDPI, Basel, Switzerland. Open Accessgl
dc.rights.accessRightsopen accessgl
dc.subjectStructural alertsgl
dc.subjectPro-oxidant activitygl
dc.subjectClastogenicitygl
dc.subjectFlavonoidsgl
dc.subjectTOPS-MODE approachgl
dc.titleIn silico study of new structural alerts of agents clastogenicgl
dc.typebook partgl
dspace.entity.typePublication
relation.isAuthorOfPublication1ff49615-6fa1-4bcc-bd20-bbb9cf38a1a0
relation.isAuthorOfPublication769c5d0c-04c9-43f2-89dc-e4eb770227d5
relation.isAuthorOfPublication0d623500-847d-42a3-a640-b799447f8750
relation.isAuthorOfPublication.latestForDiscovery1ff49615-6fa1-4bcc-bd20-bbb9cf38a1a0

Files

Original bundle

Now showing 1 - 1 of 1
Thumbnail Image
Name:
2016_ecsoc20_guardado_silico.pdf
Size:
318.35 KB
Format:
Adobe Portable Document Format
Description:
Download

Collections

Química Orgánica