Novel imidazo[1,5-a]quinoxaline derivatives: SAR, selectivity and modeling challenges en route to the identification of an α5-GABAA receptor NAM

[Display omitted] Initial optimization of a series of novel imidazo[1,5-a]quinoxaline compounds originated from a heuristic approach combining two known structural moieties towards α5-GABAA receptor is shown. This work reveals one-digit nanomolar active compounds as well as positive and negative all...

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Bibliographic Details
Published in:Bioorganic & medicinal chemistry letters 2023-01, Vol.80, p.129107-129107, Article 129107
Main Authors: Károlyi, Benedek Imre, Potor, Attila, Kapus, Gábor László, Fodor, László, Bobok, Amrita, Krámos, Balázs, Magdó, Ildikó, Bata, Imre, Szabó, György
Format: Article
Language:English
Subjects:
Displacement
Imidazo[1,5-a]quinoxaline
Modelling
Patch clamp
Quinoxalines - pharmacology
Receptors, GABA-A
SAR
Selectivity
α5-GABAA modulator
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Summary:[Display omitted] Initial optimization of a series of novel imidazo[1,5-a]quinoxaline compounds originated from a heuristic approach combining two known structural moieties towards α5-GABAA receptor is shown. This work reveals one-digit nanomolar active compounds as well as positive and negative allosteric modulators resulted from our exploratory approach. To deepen our understanding, their diverse mechanistic nature resulted from in silico modeling is also disclosed.
ISSN:0960-894X
1464-3405
DOI:10.1016/j.bmcl.2022.129107