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

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

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 (...

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Autores principales: Soloaga Ardiles,Carlos, Cárcamo Vega,José
Lenguaje:English
Publicado: Sociedad Chilena de Química 2018
Materias:
P2X7R receptor
2-hydoxy-1,4-naphthaquinones derivatives
KPG method (QSAR)
Acceso en línea:http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072018000404205
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