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

Molecules

Departamento de Química, División de Ciencias Básicas e Ingeniería, Universidad Autónoma Metropolitana, Unidad Iztapalapa, 09340 Ciudad de México, Mexico.

Published: March 2017

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 [...].

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6155404PMC
http://dx.doi.org/10.3390/molecules22030427DOI Listing

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