Structural Basis for Achieving GSK-3β Inhibition with High Potency, Selectivity, and Brain Exposure for Positron Emission Tomography Imaging and Drug Discovery
Structural Basis for Achieving GSK-3β Inhibition with High Potency, Selectivity, and Brain Exposure for Positron Emission Tomography Imaging and Drug Discovery
Using structure-guided design, several cell based assays, and microdosed positron emission tomography (PET) imaging, we identified a series of highly potent, selective, and brain-penetrant oxazole-4-carboxamide-based inhibitors of glycogen synthase kinase-3 (GSK-3). An isotopologue of our first-generation lead, [3H]PF-367, demonstrates selective and specific target engagement in vitro, irrespective of the activation state. We discovered substantial ubiquitous GSK-3-specific radioligand binding in Tg2576 Alzheimer's disease (AD), suggesting application for these compounds in AD diagnosis and identified [11C]OCM-44 as our lead GSK-3 radiotracer, with optimized brain uptake by PET imaging in nonhuman primates. GSK-3β-isozyme selectivity was assessed to reveal OCM-51, the most potent (IC50 = 0.030 nM) and selective (>10-fold GSK-3β/GSK-3α) GSK-3β inhibitor known to date. Inhibition of CRMP2T514 and tau phosphorylation, as well as favorable therapeutic window against WNT/β-catenin signaling activation, was observed in cells.
- Harvard University United States
- University of Michigan–Ann Arbor United States
- Centre for Addiction and Mental Health Canada
- Biogen (United States) United States
- University of Michigan–Flint United States
Models, Molecular, Glycogen Synthase Kinase 3 beta, Brain, Neuroimaging, Triazoles, Mice, HEK293 Cells, Blood-Brain Barrier, Catalytic Domain, Positron-Emission Tomography, Drug Discovery, Animals, Humans, Oxazoles, Protein Kinase Inhibitors
Models, Molecular, Glycogen Synthase Kinase 3 beta, Brain, Neuroimaging, Triazoles, Mice, HEK293 Cells, Blood-Brain Barrier, Catalytic Domain, Positron-Emission Tomography, Drug Discovery, Animals, Humans, Oxazoles, Protein Kinase Inhibitors
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