Density Functional Theory (DFT) Study of Edaravone Derivatives as Antioxidants

Quantum chemical calculations at the B3LYP/6–31G* level of theory were employed for the structure-activity relationship and prediction of the antioxidant activity of edaravone and structurally related derivatives using energy (E), ionization potential (IP), bond dissociation energy (BDE), and stabil...

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Detalles Bibliográficos
Autores principales: Borges, Rosivaldo S., Queiroz, Auriekson N., Mendes, Anna P. S., Araújo, Sanderson C., França, Luiz C. S., Franco, Edna C. S., Leal, Walace G., da Silva, Albérico B. F.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Molecular Diversity Preservation International (MDPI) 2012
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3397547/
https://www.ncbi.nlm.nih.gov/pubmed/22837715
http://dx.doi.org/10.3390/ijms13067594

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3397547/
https://www.ncbi.nlm.nih.gov/pubmed/22837715
http://dx.doi.org/10.3390/ijms13067594

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