Theoretical Reactivity Study of Indol-4-Ones and Their Correlation with Antifungal Activity

Chemical reactivity descriptors of indol-4-ones obtained via density functional theory (DFT) and hard–soft acid–base (HSAB) principle were calculated to prove their contribution in antifungal activity. Simple linear regression was made for global and local reactivity indexes. Results with global des...

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Detalles Bibliográficos
Autores principales: Zermeño-Macías, María de los Ángeles, González-Chávez, Marco Martín, Méndez, Francisco, González-Chávez, Rodolfo, Richaud, Arlette
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2017
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6155404/
https://www.ncbi.nlm.nih.gov/pubmed/28282898
http://dx.doi.org/10.3390/molecules22030427

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6155404/
https://www.ncbi.nlm.nih.gov/pubmed/28282898
http://dx.doi.org/10.3390/molecules22030427

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