TY - T1 - β-Amyloid Targeting with Two-Dimensional Covalent Organic Frameworks : Multi-Scale In-Silico Dissection of Nano-Biointerface SN - / UR - http://hdl.handle.net/10138/332943 T3 - A1 - Maleki, Reza; Khedri, Mohammad; Rezvantalab, Sima; Afsharchi, Fatemeh; Musaie, Kiyan; Shafiee, Sepehr; Shahbazi, Mohammad-Ali A2 - PB - Y1 - 2021 LA - eng AB - Cytotoxic aggregation of misfolded beta-amyloid (A beta) proteins is the main culprit suspected to be behind the development of Alzheimer's disease (AD). In this study, A beta interactions with the novel two-dimensional (2D) covalent organic frameworks (COFs) as therapeutic options for avoiding beta-amyloid aggregation have been investigated. The results from multi-scale atomistic simulations suggest that amine-functionalized COFs with a large surface area (more than 1000 m(2)/gr) have the poten... VO - IS - SP - OP - KW - 2D materials; Alzheimer's disease; β-amyloid; covalent organic frameworks; molecular simulation; ALZHEIMERS-DISEASE; GOLD NANOPARTICLES; GRAPHENE OXIDE; ELECTRIC-FIELD; AGGREGATION; INHIBITION; PEPTIDE; NEUROTOXICITY; FIBRILLATION; CLEARANCE; 318 Medical biotechnology; 221 Nano-technology N1 - PP - ER -