Computational Evaluation of Interaction Between Curcumin Derivatives and Amyloid-β Monomers and Fibrils: Relevance to Alzheimer's Disease.

ABSTRACT:

Background

The most important hallmark in the neuropathology of Alzheimer's disease (AD) is the formation of amyloid-β (Aβ) fibrils due to the misfolding/aggregation of the Aβ peptide. Preventing or reverting the aggregation process has been an active area of research. Naturally occurring products are a potential source of molecules that may be able to inhibit Aβ42 peptide aggregation. Recently, we and others reported the anti-aggregating properties of curcumin and some of its derivatives in vitro, presenting an important therapeutic avenue by enhancing these properties.

Objective

To computationally assess the interaction between Aβ peptide and a set of curcumin derivatives previously explored in experimental assays.

Methods

The interactions of ten ligands with Aβ mon

SUBMITTER: Orjuela A 

PROVIDER: S-EPMC8206224 | biostudies-literature | 2021

REPOSITORIES: biostudies-literature