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

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 [...]

Bibliographic Details
Main Authors: María de los Ángeles Zermeño-Macías, Marco Martín González-Chávez, Francisco Méndez, Rodolfo González-Chávez, Arlette Richaud
Format: Article
Language:English
Published: MDPI AG 2017-03-01
Series:Molecules
Subjects:
DFT
HSAB principle
indol-4-ones
Fukui function
MEP
antifungal activity
structure-activity analysis
Online Access:http://www.mdpi.com/1420-3049/22/3/427
Description
Summary: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 [...]
ISSN:1420-3049

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