Graphene-Based Nanoparticles as Potential Treatment Options for Parkinson's Disease: A Molecular Dynamics Study.

摘要: Introduction The study of abnormal aggregation proteins in different tissues the body has recently earned great attention from researchers various fields science. Concerning neurological diseases, for instance, accumulation amyloid fibrils can contribute to Parkinson's disease, a progressively severe neurodegenerative disorder. most prominent features this disease are degeneration neurons substantia nigra and α-synuclein aggregates, especially brainstem, spinal cord, cortical areas. Dopamine replacement therapies other medications have reduced motor impairment had positive consequences on patients' quality life. However, if these stopped, symptoms will recur even more severely. Therefore, improvement targeting basic mechanisms like prevention formation seems be critical. It been shown that interactions between monolayers graphene amyloids could prevent their fibrillation. Methods For first time, impact four types last-generation graphene-based nanostructures fibrillation was investigated by using molecular dynamics simulation tools. Results Although all were fibrillation, nitrogen-doped (N-Graphene) caused instability secondary structure amyloids. Moreover, among monolayers, N-Graphene present highest absolute value interaction energy, lowest contact level particles, number hydrogen bonds water molecules, significant decrease compactness protein. Discussion Ultimately, it concluded effective monolayer disrupt consequently, progression disease.