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✅   Computational Disruption of Paired Helical Filaments (PHFs) Assembly Using Milk Lactalbumin-derived Peptides Against Alzheimer's Disease

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Peptides show great potential in diagnosing and treating Alzheimer's disease (AD), particularly by targeting amyloid-beta plaques and neurofibrillary tangles (NFTs) formed by hyperphosphorylated tau proteins. This study focuses on designing peptide inhibitors from bovine milk alpha-lactalbumin to reduce tau aggregation in AD. Using computational techniques, such as docking, molecular dynamics simulations, and mutagenesis, we evaluated the binding and stability of these peptides against the paired helical filament (PHF) core. Our results identified promising inhibitors, with p136 emerging as the most effective. It significantly altered the PHF core's structure, preventing further aggregation by blocking additional subunits. Additionally, p76 displayed strong binding against straight filaments (SFs).

BioRxiv     Dec 31, 2024