RT Journal Article
T1 In Silico Prediction of the Toxic Potential of Neuroprotective Bifunctional Molecules Based on Chiral N-Propargyl-1,2-amino Alcohol Derivatives
A1 Ramos Alonso, Eva
A1 Lajarín Cuesta, Rocío
A1 Arribas, Raquel L.
A1 García Frutos, Eva M.
A1 González Lafuente, Laura
A1 Egea, Javier
A1 Ríos, Cristóbal de los
A1 Romero Martínez, Manuel Alejandro
AB N-Propargylamines are useful synthetic scaffolds for the synthesis of bioactive molecules, and in addition, they possess important pharmacological activities. We obtained several neuroprotective molecules, chiral 1,2-amino alcohols and 1,2-diamines, able to reduce by almost 70% the rotenone and oligomycin A-induced damage in SH-SY5Y cells. Furthermore, some molecules assessed also counteracted the toxicity evoked by the Ser/Thr phosphatase inhibitor okadaic acid. Before extrapolating these data to preclinical studies, we analyze the molecules through an in silico prediction system to detect carcinogenicity risk or other toxic effects. In light of these promising results, these molecules may be considered as a lead family of neuroprotective and relatively safe compounds.
PB ACS Publications
SN 0893-228X
YR 2021
FD 2021-02-26
LK https://hdl.handle.net/20.500.14352/8585
UL https://hdl.handle.net/20.500.14352/8585
LA eng
NO CRUE-CSIC (Acuerdos Transformativos 2021)
NO Instituto de Salud Carlos III (ISCIII)/FEDER
DS Docta Complutense
RD 6 oct 2024