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Mechanistic understanding of the interactions between nano-objects with different surface properties and α-synuclein, Article ACS Nano ; Volume 13, Issue 3 , 2019 , Pages 3243-3256 ; 19360851 (ISSN) ; Hosseini, A ; Adeli, M ; Ejtehadi, M. R ; Christiansen, G ; Sahin, C ; Tu, Z ; Tavakol, M ; Dilmaghani Marand, A ; Nabipour, I ; Farzadfar, F ; Otzen, D. E ; Mahmoudi, M ; Hajipour, M. J ; Sharif University of Technology
American Chemical Society 2019
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 nano-objects could interfere with this process and thus prevent α-syn fibrillation. In our simulations, positively and negatively charged graphene sheets or superparamagnetic iron oxide...