| Author | dc.contributor.author | Pérez, Edwin G. | |
| Author | dc.contributor.author | Cassels Niven, Bruce | es_CL |
| Author | dc.contributor.author | Zapata Torres, Gerald Amilcar | es_CL |
| Admission date | dc.date.accessioned | 2012-06-06T19:16:40Z | |
| Available date | dc.date.available | 2012-06-06T19:16:40Z | |
| Publication date | dc.date.issued | 2008-10-25 | |
| Cita de ítem | dc.identifier.citation | Bioorganic & Medicinal Chemistry Letters, Vol. 19, p. 251–254, 2009. | es_CL |
| Identifier | dc.identifier.issn | 0960-894X | |
| Identifier | dc.identifier.uri | https://repositorio.uchile.cl/handle/2250/119466 | |
| Abstract | dc.description.abstract | This study reports the comparative molecular modeling, docking and dynamic simulations of human
a9a10 nicotinic acetylcholine receptors complexed with acetylcholine, nicotine and a-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 a10( )
subunit, is a determinant for recognition in the site that binds small ligands. However, Glu195 in the principal
a9(+), and Asp114 in the complementary a10( ) subunit, might confer the potency and selectivity
to a-conotoxin RgIA when interacting with Arg7 and Arg9 of this ligand. | es_CL |
| Patrocinador | dc.description.sponsorship | This work was funded by DI Grant 2006 INI 06/03-2 and ICM
Grant No. P99-031-F. E.G.P. is grateful for a DAAD scholarship
and GZ-T acknowledges a CONICYT (Chile) ‘Proyecto Bicentenario
de Inserción Académica’ (2004). | es_CL |
| Lenguage | dc.language.iso | en | es_CL |
| Publisher | dc.publisher | Elsevier Ltd. | es_CL |
| Keywords | dc.subject | Nicotinic acetylcholine receptors | es_CL |
| Título | dc.title | Molecular modeling of the a9a10 nicotinic acetylcholine receptor subtype | es_CL |
| Document type | dc.type | Artículo de revista | |
