RT Book,_Section
T1 In silico study of new structural alerts of agents clastogenic
A1 Guardado Yordi, Estela
A1 Matos, Maria João Correia Pinto Carvalho de
A1 Uriarte Villares, Eugenio
A1 Pérez Martínez, Amaury
A1 Santana Penín, María Lourdes
A1 Molina, Enrique
K1 Structural alerts
K1 Pro-oxidant activity
K1 Clastogenicity
K1 Flavonoids
K1 TOPS-MODE approach
AB Natural 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 toxicology
PB MDPI
SN 978-3-03842-192-4
YR 2016
FD 2016
LK http://hdl.handle.net/10347/25745
UL http://hdl.handle.net/10347/25745
LA eng
NO Guardado 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-e021
DS Minerva
RD 27 abr 2026