A brain-penetrant P2X7R antagonist mitigates Alzheimer's disease pathology
Turcu, A. L.; Oken, A. C.; Grinan-Ferre, C.; Durner, A.; Sierra Marquez, J.; Hinz-Kowalik, S.; Nagel, J.; Lee, S.-D.; Tzortzini, E.; Georgiou, K.; Bhol, M.; Baz, Z.; Llop, J.; Schneider, M.; Barbaraci, C.; Kim, G.-R.; Barniol-Xicota, M.; Val, C.; Brea, J.; Loza, M. I.; Perez, B.; Naesens, L.; Kolocouris, A.; Kim, Y. C.; Müller, C. E.; Nicke, A.; Pallas, M.; Mansoor, S. E.; Vazquez, S.
Show abstract
The ATP-gated P2X7 receptor (P2X7R) activates inflammatory signaling pathways in the central nervous system. In particular, P2X7Rs drive chronic glia-mediated neuroinflammation, which is increasingly recognized as a key contributor to Alzheimers disease, a neurodegenerative disorder that lacks effective disease-modifying therapies. Here we identify a potent and selective negative allosteric modulator of P2X7Rs with therapeutic potential. We synthesize a series of small molecules based on a polycyclic scaffold and confirm blood-brain barrier penetration by testing a radiolabeled analogue using positron emission tomography imaging. Through a structure-guided medicinal chemistry campaign centered on our scaffold, we identify four promising P2X7R antagonists. Of these, UB-ALT-P2 exhibits the most favorable safety profile, high oral bioavailability and robust brain penetration. High-resolution cryo-EM structures of UB-ALT-P2 bound to human, mouse, and rat P2X7Rs reveal a conserved antagonist binding mode with steric features that favor prolonged binding to human receptors. In the 5xFAD mouse model of AD, oral UB-ALT-P2 blunts weight loss, improves short- and long-term memory, reduces amyloid-{beta} plaque burden, lowers hyperphosphorylated tau, and diminishes oxidative and inflammatory markers. These results establish UB-ALT-P2 as a potent and safe P2X7R antagonist that can mitigate core AD pathologies, providing a compelling foundation for further development.
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