Amyloid-beta anti-aggregation drug assessment
November 2016
Jagiellonian University Medical College, Cracow, Poland
Amyloid-beta aggregation is one of the hallmarks of Alzheimer's disease and, in the amyloid hypothesis, the main driver of its pathogenesis. In the last years, it has been the targeted pathological process to design therapeutical strategies. In this study, a computational approach is described to study inhibitory molecules of amyloid-beta aggregation. The researchers used molecular docking and all-atom molecular dynamics simulations and found out that the number of backbone hydrogen bonds is related to the anti-aggregation properties of these compounds and that these were able to destroy the beta-sheet amyloid structures. Here, valuable data is provided that can be potentially used for the design of novel inhibitors of amyloid-beta aggregation in Alzheimer's disease.
Computational approach for the assessment of inhibitory potency against beta-amyloid aggregation
Marek Bajda
Added on: 08-16-2021
[1] https://www.sciencedirect.com/science/article/abs/pii/S0960894X16312379[2] https://data.jrc.ec.europa.eu/dataset/a8fd26ef-b113-47ab-92ba-fd2be449c7eb
