Destabilization of amyloid fibrils on interaction with MoS₂-based nanomaterials.

ABSTRACT: The present work is motivated by the established concept that the structure and energetics of biomacromolecules can be modulated by confining their dimensions in the nanoscale. In particular, here we use force-field methods to understand the stability of amyloid fibrils at nanostructured interfaces, which can be useful for the development of new therapeutics for Alzheimer's disease. We explore the binding modes and structural properties of fibrils at the interface of molybdenum disulphide nanotubes and the nanosurface using classical molecular dynamics simulations. We find that in general the MoS₂ materials induces disruptions in the structure of the amyloid fibrils where the beta sheet conformation of the fibrils changes to a turned conformation, and it is large in the case of

SUBMITTER: Mudedla SK 

PROVIDER: S-EPMC9059571 | biostudies-literature | 2019 Jan

REPOSITORIES: biostudies-literature