Nucleus-Independent Chemical Shift (NICS) as a Criterion for the Design of New Antifungal Benzofuranones

Nucleus-Independent Chemical Shift (NICS) as a Criterion for the Design of New Antifungal Benzofuranones

The assertion made by Wu et al. that aromaticity may have considerable implications for molecular design motivated us to use nucleus-independent chemical shifts (NICS) as an aromaticity criterion to evaluate the antifungal activity of two series of indol-4-ones. A linear regression analysis of NICS...

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Bibliographic Details
Main Authors: María de los Ángeles Zermeño-Macías, Marco Martín González-Chávez, Francisco Méndez, Arlette Richaud, Rodolfo González-Chávez, Luis Enrique Ojeda-Fuentes, Perla del Carmen Niño-Moreno, Roberto Martínez
Format: Article
Language:English
Published: MDPI AG 2021-08-01
Series:Molecules
Subjects:
NICS
aromaticity
benzofuran-4-one
antifungal activity
quantitative structure–activity relationship
Online Access:https://www.mdpi.com/1420-3049/26/16/5078

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https://www.mdpi.com/1420-3049/26/16/5078

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