| dc.contributor | | en-US |
| dc.creator | Soloaga Ardiles, Carlos | |
| dc.creator | Cárcamo Vega, José | |
| dc.date | 2019-01-09 | |
| dc.date.accessioned | 2019-04-16T16:42:56Z | |
| dc.date.available | 2019-04-16T16:42:56Z | |
| dc.identifier | https://www.jcchems.com/index.php/JCCHEMS/article/view/917 | |
| dc.identifier.uri | http://revistaschilenas.uchile.cl/handle/2250/42409 | |
| dc.description | 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. | en-US |
| dc.format | application/pdf | |
| dc.language | eng | |
| dc.publisher | Sociedad Chilena de Química | en-US |
| dc.relation | https://www.jcchems.com/index.php/JCCHEMS/article/view/917/278 | |
| dc.rights | Copyright (c) 2019 Journal of the Chilean Chemical Society | en-US |
| dc.rights | http://creativecommons.org/licenses/by-nc-sa/4.0 | en-US |
| dc.source | Journal of the Chilean Chemical Society; Vol 63, No 4 (2018): Journal of the Chilean Chemical Society | en-US |
| dc.source | 0717-9707 | |
| dc.subject | P2X7R receptor; 2-hydoxy-1,4-naphthaquinones derivatives; KPG method (QSAR) | en-US |
| dc.title | 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 | en-US |
| dc.type | info:eu-repo/semantics/article | |
| dc.type | info:eu-repo/semantics/publishedVersion | |
| dc.type | | en-US |
