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| Home > Publications database > Uncovering the Binding and Specificity of β-Wrapins for Amyloid-β and α-Synuclein > print |
| 001 | 827040 | ||
| 005 | 20210129225738.0 | ||
| 024 | 7 | _ | |a 10.1021/acs.jpcb.6b08485 |2 doi |
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| 100 | 1 | _ | |a Orr, Asuka A. |0 P:(DE-HGF)0 |b 0 |
| 245 | _ | _ | |a Uncovering the Binding and Specificity of β-Wrapins for Amyloid-β and α-Synuclein |
| 260 | _ | _ | |a Washington, DC |c 2016 |b Soc. |
| 336 | 7 | _ | |a article |2 DRIVER |
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| 520 | _ | _ | |a Amyloidogenic proteins amyloid-β peptide (Aβ) and α-synuclein (α-syn) self-assemble into fibrillar amyloid deposits, senile plaques and Lewy bodies, pathological features of Alzheimer’s and Parkinson’s diseases, respectively. Interestingly, a portion of Alzheimer’s disease cases also exhibit aggregation of α-syn into Lewy bodies, and growing evidence also suggests that Aβ and α-syn oligomers are toxic. Therefore, the simultaneous inhibition through sequestration of the two amyloidogenic proteins may constitute a promising therapeutic strategy. Recently discovered β-wrapin proteins pave the way toward this direction as they can inhibit the aggregation and toxicity of both Aβ and α-syn. Here, we used computational methods, primarily molecular dynamics simulations and free energy calculations, to shed light into the key interaction-based commonalities leading to the dual binding properties of β-wrapins for both amyloidogenic proteins, to identify which interactions potentially act as switches diminishing β-wrapins’ binding activity for Aβ/α-syn, and to examine the binding properties of the current most potent β-wrapin for Aβ. Our analysis provides insights into the distinct role of the key determinants leading to β-wrapin binding to Aβ and α-syn, and suggests that the Aβ 18VFFAED23 and α-syn 38LYVGSK43 are key domains determining the binding specificity of a β-wrapin. Our findings can potentially lead to the discovery of novel therapeutics for Alzheimer’s and Parkinson’s diseases. |
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| 700 | 1 | _ | |a Hoyer, Wolfgang |0 P:(DE-Juel1)166306 |b 2 |u fzj |
| 700 | 1 | _ | |a Tamamis, Phanourios |0 P:(DE-HGF)0 |b 3 |e Corresponding author |
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