TLR4-mediated neuroinflammation in Alzheimer’s disease involving amyloid-β (Aβ) and hyperphosphorylated tau activation of microglia, targeting the MD-2 LPS-binding pocket through in silico structural analysis and Fpocket druggability mapping of the TLR4–MD-2 complex, for development of high-affinity molecular imaging probes and PET imaging strategies for early detection and therapeutic monitoring.