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 [...]
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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MDPI AG
2017-03-01
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| Series: | Molecules |
| Subjects: | |
| Online Access: | http://www.mdpi.com/1420-3049/22/3/427 |
| _version_ | 1811218671373123584 |
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| author | María de los Ángeles Zermeño-Macías Marco Martín González-Chávez Francisco Méndez Rodolfo González-Chávez Arlette Richaud |
| author_facet | María de los Ángeles Zermeño-Macías Marco Martín González-Chávez Francisco Méndez Rodolfo González-Chávez Arlette Richaud |
| author_sort | María de los Ángeles Zermeño-Macías |
| collection | DOAJ |
| description | 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 [...] |
| first_indexed | 2024-04-12T07:13:19Z |
| format | Article |
| id | doaj.art-f9834c1057d94237b932788d464fdf17 |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-04-12T07:13:19Z |
| publishDate | 2017-03-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-f9834c1057d94237b932788d464fdf172022-12-22T03:42:34ZengMDPI AGMolecules1420-30492017-03-0122342710.3390/molecules22030427molecules22030427Theoretical Reactivity Study of Indol-4-Ones and Their Correlation with Antifungal ActivityMaría de los Ángeles Zermeño-Macías0Marco Martín González-Chávez1Francisco Méndez2Rodolfo González-Chávez3Arlette Richaud4Posgrado en Ciencias Farmacobiológicas, Universidad Autónoma de San Luis Potosí, 78210 San Luis Potosí, MexicoFacultad de Ciencias Químicas, Universidad Autónoma de San Luis Potosí, Av. Dr. Manuel Nava No. 6 Zona Universitaria, 78210 San Luis Potosí, MexicoDepartamento de Química, División de Ciencias Básicas e Ingeniería, Universidad Autónoma Metropolitana, Unidad Iztapalapa, 09340 Ciudad de México, MexicoFacultad de Ciencias Químicas, Universidad Autónoma de San Luis Potosí, Av. Dr. Manuel Nava No. 6 Zona Universitaria, 78210 San Luis Potosí, MexicoDepartamento de Química, División de Ciencias Básicas e Ingeniería, Universidad Autónoma Metropolitana, Unidad Iztapalapa, 09340 Ciudad de México, MexicoChemical 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 [...]http://www.mdpi.com/1420-3049/22/3/427DFTHSAB principleindol-4-onesFukui functionMEPantifungal activitystructure-activity analysis |
| spellingShingle | María de los Ángeles Zermeño-Macías Marco Martín González-Chávez Francisco Méndez Rodolfo González-Chávez Arlette Richaud Theoretical Reactivity Study of Indol-4-Ones and Their Correlation with Antifungal Activity Molecules DFT HSAB principle indol-4-ones Fukui function MEP antifungal activity structure-activity analysis |
| title | Theoretical Reactivity Study of Indol-4-Ones and Their Correlation with Antifungal Activity |
| title_full | Theoretical Reactivity Study of Indol-4-Ones and Their Correlation with Antifungal Activity |
| title_fullStr | Theoretical Reactivity Study of Indol-4-Ones and Their Correlation with Antifungal Activity |
| title_full_unstemmed | Theoretical Reactivity Study of Indol-4-Ones and Their Correlation with Antifungal Activity |
| title_short | Theoretical Reactivity Study of Indol-4-Ones and Their Correlation with Antifungal Activity |
| title_sort | theoretical reactivity study of indol 4 ones and their correlation with antifungal activity |
| topic | DFT HSAB principle indol-4-ones Fukui function MEP antifungal activity structure-activity analysis |
| url | http://www.mdpi.com/1420-3049/22/3/427 |
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