Department of Molecular Biotechnology and Health Sciences

The “amyloid cascade hypothesis” is an accredited theory to rationalize the etiology of Alzheimer’s disease (AD). In particular the amyloid β-peptides Aβ(1−42) is prone to aggregation and thus involved in the formation of fibrils and b-amyloid plaques. Recent evidence suggests that key subdomains within Ab affect its propensity toward aggregation. Investigations about the secondary structure of these subdomains are therefore of key relevance in the understanding of the AD etiology.
The main aim of the study consists in the application of molecular dynamics (MD) to amyloid β-peptides Aβ(1−42) and some derivatives. MD simulations will be interpreted with standard tools and other computational strategies derived from medicinal chemistry expertise.
In silico results will be finally confirmed by ad hoc selected experimental assays.

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