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- W4239679696 abstract "Alzheimer's disease is a neurodegenerative disorder that results in the death of neurons and impaired cognitive function. One of the pathological hallmarks of Alzheimer's is the formation of senile plaques which originate from the aggregation of the Amyloid-β protein. Recent research has found that the overabundance of certain metal-ions in the brain may contribute to this problem, and that chelation therapy may be an effective tool to solve it. In this study, we conducted Density Functional Theory calculations to investigate the interaction of metal ions to the Amyloid-β protein, as well as the adsorption of the copper-ion by potential chelation materials. We conducted binding energy calculations and plotted the charge transfer between the metals and the substrates in order to evaluate bond strength. Binding energy calculations revealed that the binding affinities followed the order of Cu > Al > Zn, proving copper to retain the strongest affinity compared to other metal ions of biological significance. Due to copper's strong affinity, binding energies were also evaluated for its interaction with potential chelators: monolayer boron nitride, monolayer molybdenum disulfide, and monolayer silicene. Silicene produced the highest binding energies to copper, and the evidence of charge transfer between copper and the monolayers proves that there is a strong ionic bond present. Although our three monolayers did not directly present chelation potential, the absolute differences between the binding energies of the silicene binding sites and the Amyloid-β binding sites were minimal proving that further research in silicene chelators will open doors for therapy in Alzheimer's disease." @default.
- W4239679696 created "2022-05-12" @default.
- W4239679696 creator A5054576594 @default.
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- W4239679696 date "2019-09-07" @default.
- W4239679696 modified "2023-09-23" @default.
- W4239679696 title "The investigation of metal-ion coordination to amyloid-beta and potential chelation materials for the treatment of Alzheimer’s disease" @default.
- W4239679696 doi "https://doi.org/10.7287/peerj.preprints.27942v1" @default.
- W4239679696 hasPublicationYear "2019" @default.
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