Muestra la distribución de disciplinas para esta publicación.
Publicaciones WoS (Ediciones: ISSHP, ISTP, AHCI, SSCI, SCI), Scopus, SciELO Chile.
Departamento Gestión de Conocimiento, Monitoreo y Prospección
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THEORETICAL ANALYSIS OF THE RELATIONSHIP BETWEEN THE ELECTRONIC STRUCTURE AND ITS INHIBITORY ACTION IN THE P2X7R RECEPTOR OF A SERIES OF 2-HYDROXY-1,4-NAPHTHOQUINONES DERIVATIVES
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| Año | 2018 | ||||||
| Tipo | artículo de investigación |
Citas Totales
Autores Afiliación Chile
Instituciones Chile
% Participación
Internacional
Autores
Afiliación Extranjera
Instituciones
Extranjeras
Abstract
In this work, a theoretical study of the relationship between the electronic structure and the activity of the P2X7R receptor from 2-hydroxy-1,4-naphthoquinone derivatives, using the KPG method. was performed. The electronic structure of the molecules was calculated at level B3LYP / 6-31G (d, p) with full geometry optimization. A statistically significant equation was obtained by relating the variation of biological activity with the variation of a set of indices of local atomic reactivity. Based on the analysis of the results, a two-dimensional pharmacophore was proposed.
| Ord. | Autor | Género | Institución - País |
|---|---|---|---|
| 1 | Ardiles, Carlos Soloaga | Hombre |
Universidad de Tarapacá - Chile
|
| 2 | CARCAMO-VEGA, JOSE JAVIER | Hombre |
Universidad de Tarapacá - Chile
|
| 2 | Vega, José Cárcamo | Hombre |
Universidad de Tarapacá - Chile
|
| Fuente |
|---|
| FONDECYT |
| Fondo Nacional de Desarrollo Científico y Tecnológico |
| Fondo Nacional de Desarrollo Científico, Tecnológico y de Innovación Tecnológica |
| Fondo Nacional de Desarrollo CientÃfico y Tecnológico |
| Agradecimiento |
|---|
| This work was financially supported by project 11140262 from FONDECYT. The authors thank Dr. Maria Camarada, Director of the Center for Applied Nanotechnology, Faculty of Sciences Universidad Mayor for providing the means to carry out this study. |
| This work was financially supported by project 11140262 from FONDECYT. The authors thank Dr. María Camarada, Director of the Center for Applied Nanotechnology, Faculty of Sciences Universidad Mayor for providing the means to carry out this study. |
