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Authordc.contributor.authorPérez, Edwin G. 
Authordc.contributor.authorCassels Niven, Bruce 
Authordc.contributor.authorZapata Torres, Gerald 
Admission datedc.date.accessioned2018-12-20T14:12:14Z
Available datedc.date.available2018-12-20T14:12:14Z
Publication datedc.date.issued2009
Cita de ítemdc.identifier.citationBioorganic and Medicinal Chemistry Letters, Volumen 19, Issue 1, 2018, Pages 251-254
Identifierdc.identifier.issn0960894X
Identifierdc.identifier.other10.1016/j.bmcl.2008.10.094
Identifierdc.identifier.urihttp://repositorio.uchile.cl/handle/2250/154691
Abstractdc.description.abstractThis study reports the comparative molecular modeling, docking and dynamic simulations of human α9α10 nicotinic acetylcholine receptors complexed with acetylcholine, nicotine and α-conotoxin RgIA, using as templates the crystal structures of Aplysia californica and Lymnaea stagnalis acetylcholine binding proteins. The molecular dynamics simulations showed that Arg112 in the complementary α10(-) subunit, is a determinant for recognition in the site that binds small ligands. However, Glu195 in the principal α9(+), and Asp114 in the complementary α10(-) subunit, might confer the potency and selectivity to α-conotoxin RgIA when interacting with Arg7 and Arg9 of this ligand. © 2008 Elsevier Ltd. All rights reserved.
Lenguagedc.language.isoen
Type of licensedc.rightsAttribution-NonCommercial-NoDerivs 3.0 Chile
Link to Licensedc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/3.0/cl/
Sourcedc.sourceBioorganic and Medicinal Chemistry Letters
Keywordsdc.subjectα-Conotoxin RgIA
Keywordsdc.subjectAcetylcholine
Keywordsdc.subjectMolecular dynamics
Keywordsdc.subjectNicotine
Keywordsdc.subjectNicotinic acetylcholine receptors
Títulodc.titleMolecular modeling of the α9α10 nicotinic acetylcholine receptor subtype
Document typedc.typeArtículo de revista
Catalogueruchile.catalogadorSCOPUS
Indexationuchile.indexArtículo de publicación SCOPUS
uchile.cosechauchile.cosechaSI


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Attribution-NonCommercial-NoDerivs 3.0 Chile
Except where otherwise noted, this item's license is described as Attribution-NonCommercial-NoDerivs 3.0 Chile