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J Med Chem ; 45(18): 4047-54, 2002 Aug 29.
Artículo en Inglés | MEDLINE | ID: mdl-12190326

RESUMEN

A set of novel nicotine-related, conformationally constrained compounds, including tetracyclic, bridged (4), and tricyclic, spiro-annulated (5) structures, were synthesized in a straightforward manner and optically resolved in a convenient fashion with (+)- and (-)-O,O'-di-p-toluoyltartaric acids. Absolute configurations were determined by X-ray crystallography. These compounds were evaluated for their ability to displace [(3)H]cytisine in a rat forebrain preparation and compared to (-)-nicotine. Three substances emerged with high affinity in the low nanomolar range. Moreover, one of these compounds ((+)-5b) showed not only high binding affinity (K(i) = 4.79 nM) but also significant enantioselectivity over its antipode (K(i) = 148 nM), supporting the hypothesis that conformational restraint can lead to high-affinity ligands, which are stereochemically discriminated by the nicotinic acetylcholine receptor and may feature optimum locations of the active sites of the pharmacophore.


Asunto(s)
Hidrocarburos Aromáticos con Puentes/síntesis química , Nicotina/análogos & derivados , Nicotina/síntesis química , Pirroles/síntesis química , Receptores Nicotínicos/metabolismo , Compuestos de Espiro/síntesis química , Animales , Encéfalo/metabolismo , Hidrocarburos Aromáticos con Puentes/química , Hidrocarburos Aromáticos con Puentes/farmacología , Cristalografía por Rayos X , Técnicas In Vitro , Ligandos , Conformación Molecular , Nicotina/química , Nicotina/farmacología , Pirroles/química , Pirroles/farmacología , Ratas , Compuestos de Espiro/química , Compuestos de Espiro/farmacología , Estereoisomerismo , Relación Estructura-Actividad
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