Investigating the Theranostic Potential of Graphene Quantum Dots in Alzheimer's Disease.

ABSTRACT: Alzheimer's disease (AD) is one of the leading causes of death worldwide, with no definitive diagnosis or known cure. The aggregation of Tau protein into neurofibrillary tangles (NFTs), which contain straight filaments (SFs) and paired helical filaments (PHFs), is a major hallmark of AD. Graphene quantum dots (GQDs) are a type of nanomaterial that combat many of the small-molecule therapeutic challenges in AD and have shown promise in similar pathologies. In this study, two sizes of GQDs, GQD7 and GQD28, were docked to various forms of Tau monomers, SFs, and PHFs. From the favorable docked poses, we simulated each system for at least 300 ns and calculated the free energies of binding. We observed a clear preference for GQD28 in the PHF6 (³⁰⁶VQIVYK³¹¹) pathological hex

SUBMITTER: Walton-Raaby M 

PROVIDER: S-EPMC10253610 | biostudies-literature | 2023 May

REPOSITORIES: biostudies-literature