A DFT STUDY OF THE RELATIONSHIPS BETWEEN ELECTRONIC STRUCTURE AND PERIPHERAL BENZODIAZEPINE RECEPTOR AFFINITY IN A GROUP OF N,N-DIALKYL-2-PHENYLINDOL-3-YLGLYOXYLAMIDES

A DFT STUDY OF THE RELATIONSHIPS BETWEEN ELECTRONIC STRUCTURE AND PERIPHERAL BENZODIAZEPINE RECEPTOR AFFINITY IN A GROUP OF N,N-DIALKYL-2-PHENYLINDOL-3-YLGLYOXYLAMIDES

We present here the results of a Density Functional Theory study of the relationships between electronic structure and peripheral benzodiazepine receptor affinity for a group of N,N-dialkyl-2-phenylindol-3-ylglyoxylamide derivatives. As expected for a receptor that evolved over many millions of year...

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Autor principal: GÓMEZ-JERIA,JUAN S
Lenguaje:English
Publicado: Sociedad Chilena de Química 2010
Materias:
Density Functional Theory
Fukui indices
superdelocalizabilities
structure-activity relationships
receptor affinity
peripheral benzodiazepine receptor
Acceso en línea:http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072010000300024
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