2019
DOI: 10.1021/acsnano.8b08983
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Mechanistic Understanding of the Interactions between Nano-Objects with Different Surface Properties and α-Synuclein

Abstract: Aggregation of the natively unfolded protein α-synuclein (α-syn) is key to the development of Parkinson’s disease (PD). Some nanoparticles (NPs) can inhibit this process and in turn be used for treatment of PD. Using simulation strategies, we show here that α-syn self-assembly is electrostatically driven. Dimerization by head-to-head monomer contact is triggered by dipole–dipole interactions and subsequently stabilized by van der Waals interactions and hydrogen bonds. Therefore, we hypothesized that charged na… Show more

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Cited by 52 publications
(66 citation statements)
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References 76 publications
(95 reference statements)
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“…shows the results of this study, and Hossein Mohammad-Beigi et al [32] are in agreement, which validates the results in this study.…”
Section: Validationsupporting
confidence: 92%
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“…shows the results of this study, and Hossein Mohammad-Beigi et al [32] are in agreement, which validates the results in this study.…”
Section: Validationsupporting
confidence: 92%
“…VDW energy in this study and[32] to validate the results4. ResultsFigures3a to 3d show α-synuclein in the simulation with BCN, P-CNT, and N-CNT after 40 nanoseconds, while Figure 3e shows the folded α-synuclein.…”
mentioning
confidence: 67%
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