Next Article in Journal
The Emission of the Floral Scent of Four Osmanthus fragrans Cultivars in Response to Different Temperatures
Previous Article in Journal
Low-Dose Endotoxin Induces Late Preconditioning, Increases Peroxynitrite Formation, and Activates STAT3 in the Rat Heart
Previous Article in Special Issue
The Nitrilimine–Alkene Cycloaddition Regioselectivity Rationalized by Density Functional Theory Reactivity Indices
Article Menu
Issue 3 (March) cover image

Export Article

Open AccessArticle
Molecules 2017, 22(3), 427; doi:10.3390/molecules22030427

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

1
Posgrado en Ciencias Farmacobiológicas, Universidad Autónoma de San Luis Potosí, 78210 San Luis Potosí, Mexico
2
Facultad de Ciencias Químicas, Universidad Autónoma de San Luis Potosí, Av. Dr. Manuel Nava No. 6 Zona Universitaria, 78210 San Luis Potosí, Mexico
3
Departamento de Química, División de Ciencias Básicas e Ingeniería, Universidad Autónoma Metropolitana, Unidad Iztapalapa, 09340 Ciudad de México, Mexico
*
Authors to whom correspondence should be addressed.
Academic Editors: Luis R. Domingo and Alessandro Ponti
Received: 1 January 2017 / Accepted: 2 March 2017 / Published: 8 March 2017
View Full-Text   |   Download PDF [3211 KB, uploaded 14 March 2017]   |  
Note: In lieu of an abstract, this is an excerpt from the first page.

Excerpt

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 [...] View Full-Text
Keywords: DFT; HSAB principle; indol-4-ones; Fukui function; MEP; antifungal activity; structure-activity analysis DFT; HSAB principle; indol-4-ones; Fukui function; MEP; antifungal activity; structure-activity analysis
Figures

This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

Supplementary material

Scifeed alert for new publications

Never miss any articles matching your research from any publisher
  • Get alerts for new papers matching your research
  • Find out the new papers from selected authors
  • Updated daily for 49'000+ journals and 6000+ publishers
  • Define your Scifeed now

SciFeed Share & Cite This Article

MDPI and ACS Style

Zermeño-Macías, M.Á.; González-Chávez, M.M.; Méndez, F.; González-Chávez, R.; Richaud, A. Theoretical Reactivity Study of Indol-4-Ones and Their Correlation with Antifungal Activity. Molecules 2017, 22, 427.

Show more citation formats Show less citations formats

Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.

Related Articles

Article Metrics

Article Access Statistics

1

Comments

[Return to top]

Molecules EISSN 1420-3049 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert
Back to Top