A STRUCTURE-AFFINITY STUDY OF THE OPIOID BINDING OF SOME 3-SUBSTITUTED MORPHINANS

A ZINDO/1 quantum-chemical structure-affinity relationship study is presented for the interaction of a group of 3-substituted morphinans with mu, delta and kappa opioid receptors. From this and previous work it is concluded that: 1. Receptor selectivity is regulated by different electronic densities...

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Autores principales:	GÓMEZ-JERIA,JUAN SEBASTIÁN, GERLI-CANDIA,LORENA A, HURTADO,S. MARCELA
Lenguaje:	English
Publicado:	Sociedad Chilena de Química 2004
Acceso en línea:	http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072004000400008
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spelling	oai:scielo:S0717-970720040004000082005-09-13A STRUCTURE-AFFINITY STUDY OF THE OPIOID BINDING OF SOME 3-SUBSTITUTED MORPHINANSGÓMEZ-JERIA,JUAN SEBASTIÁNGERLI-CANDIA,LORENA AHURTADO,S. MARCELAA ZINDO/1 quantum-chemical structure-affinity relationship study is presented for the interaction of a group of 3-substituted morphinans with mu, delta and kappa opioid receptors. From this and previous work it is concluded that: 1. Receptor selectivity is regulated by different electronic densities located sometimes at the same atomic center. 2. The equations for the binding to the three opiate receptors are consistent with previous results obtained for other kinds of opiate molecules. 3. Internal occupied molecular orbitals are very important in regulating receptor affinity (and selectivity). 4. The role of molecular orbitals in the saturated rings needs further analysis through the study of more molecular systems interacting with opiate receptorsinfo:eu-repo/semantics/openAccessSociedad Chilena de QuímicaJournal of the Chilean Chemical Society v.49 n.4 20042004-12-01text/htmlhttp://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072004000400008en10.4067/S0717-97072004000400008
institution	Scielo Chile
collection	Scielo Chile
language	English
description	A ZINDO/1 quantum-chemical structure-affinity relationship study is presented for the interaction of a group of 3-substituted morphinans with mu, delta and kappa opioid receptors. From this and previous work it is concluded that: 1. Receptor selectivity is regulated by different electronic densities located sometimes at the same atomic center. 2. The equations for the binding to the three opiate receptors are consistent with previous results obtained for other kinds of opiate molecules. 3. Internal occupied molecular orbitals are very important in regulating receptor affinity (and selectivity). 4. The role of molecular orbitals in the saturated rings needs further analysis through the study of more molecular systems interacting with opiate receptors
author	GÓMEZ-JERIA,JUAN SEBASTIÁN GERLI-CANDIA,LORENA A HURTADO,S. MARCELA
spellingShingle	GÓMEZ-JERIA,JUAN SEBASTIÁN GERLI-CANDIA,LORENA A HURTADO,S. MARCELA A STRUCTURE-AFFINITY STUDY OF THE OPIOID BINDING OF SOME 3-SUBSTITUTED MORPHINANS
author_facet	GÓMEZ-JERIA,JUAN SEBASTIÁN GERLI-CANDIA,LORENA A HURTADO,S. MARCELA
author_sort	GÓMEZ-JERIA,JUAN SEBASTIÁN
title	A STRUCTURE-AFFINITY STUDY OF THE OPIOID BINDING OF SOME 3-SUBSTITUTED MORPHINANS
title_short	A STRUCTURE-AFFINITY STUDY OF THE OPIOID BINDING OF SOME 3-SUBSTITUTED MORPHINANS
title_full	A STRUCTURE-AFFINITY STUDY OF THE OPIOID BINDING OF SOME 3-SUBSTITUTED MORPHINANS
title_fullStr	A STRUCTURE-AFFINITY STUDY OF THE OPIOID BINDING OF SOME 3-SUBSTITUTED MORPHINANS
title_full_unstemmed	A STRUCTURE-AFFINITY STUDY OF THE OPIOID BINDING OF SOME 3-SUBSTITUTED MORPHINANS
title_sort	structure-affinity study of the opioid binding of some 3-substituted morphinans
publisher	Sociedad Chilena de Química
publishDate	2004
url	http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072004000400008
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A STRUCTURE-AFFINITY STUDY OF THE OPIOID BINDING OF SOME 3-SUBSTITUTED MORPHINANS

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