Table of Contents
Molecules, Volume 25, Issue 9 (May-1 2020) – 263 articles
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Cover Story (view full-size image) The discovery of novel GSK-3β inhibitors to hinder central disorders is highly needed. [...] Read more. The discovery of novel GSK-3β inhibitors to hinder central disorders is highly needed. 1H-Indazole-3-carboxamide (INDZ) derivatives were previously reported as potent GSK-3β inhibitors. However, they suffer from poor brain penetration. Here, a computer-aided scaffold-hopping strategy was conceived leading to novel imidazo[1,5-a]pyridine-1-carboxamide (IMID 1) and imidazo[1,5-a]pyridine-3-carboxamide (IMID 2) compounds with ameliorated permeability, but slightly reduced GSK-3β potency with respect to the INDZ analogs. In order to rationalize the observed structure–activity relationship, retrospective in silico studies and NMR investigation were carried out, highlighting the key role of the acidic hydrogen of the central core for GSK-3β affinity. View this paper.