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J Med Chem ; 64(8): 4730-4743, 2021 04 22.
Artículo en Inglés | MEDLINE | ID: mdl-33847501

RESUMEN

Despite the therapeutic relevance of δ-containing γ-aminobutyric acid type A receptors (GABAARs) and the need for δ-selective compounds, the structural determinants for the mode and molecular site of action of δ-selective positive allosteric modulator imidazo[1,2-a]pyridine DS2 remain elusive. To guide the quest for insight, we synthesized a series of DS2 analogues guided by a structural receptor model. Using a fluorescence-based fluorometric imaging plate reader membrane potential assay, we found that the δ-selectivity and the pharmacological profile are severely affected by substituents in the 5-position of the imidazopyridine core scaffold. Interestingly, the 5-methyl, 5-bromo, and 5-chloro DS2 analogues, 30, 35, and 36, were shown to be superior to DS2 at α4ß1δ as mid-high nanomolar potency δ-selective allosteric modulators, displaying 6-16 times higher potency than DS2. Of these, 30 also displayed at least 60-fold selectivity for α4ß1δ over α4ß1γ2 receptor subtypes representing a potential tool for the selective characterization of δ-containing GABAARs in general.


Asunto(s)
Piridinas/química , Receptores de GABA-A/metabolismo , Regulación Alostérica , Sitios de Unión , Diseño de Fármacos , Células HEK293 , Humanos , Ligandos , Simulación del Acoplamiento Molecular , Subunidades de Proteína/química , Subunidades de Proteína/metabolismo , Piridinas/metabolismo , Receptores de GABA-A/química , Relación Estructura-Actividad
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