In Silico Prediction of the Toxic Potential of Neuroprotective Bifunctional Molecules Based on Chiral N-Propargyl-1,2-amino Alcohol Derivatives
| Autor: | Eva Ramos, Raquel L Arribas, Javier Egea, Cristóbal de los Ríos, Laura González-Lafuente, Eva M. García-Frutos, Rocío Lajarín-Cuesta, Alejandro Romero |
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| Rok vydání: | 2021 |
| Předmět: |
Oligomycin
Cell Survival In silico Farmacología 010501 environmental sciences Toxicology 01 natural sciences Neuroprotection 03 medical and health sciences chemistry.chemical_compound Cell Line Tumor Toxicología Humans Bifunctional Carcinogen 030304 developmental biology 0105 earth and related environmental sciences 0303 health sciences Rapid Report Molecular Structure Chemistry General Medicine Rotenone Okadaic acid Amino Alcohols Neuroprotective Agents Biochemistry Morphinans Toxicity |
| Zdroj: | E-Prints Complutense. Archivo Institucional de la UCM instname Chemical Research in Toxicology |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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