Role of Acetylcholinesterase in β-Amyloid Aggregation Studied by Accelerated Molecular Dynamics

Abstract

© 2016, Springer Science+Business Media New York.Mechanisms of Alzheimer’s disease development are still under investigation. It was shown that acetylcholinesterase promotes aggregation of β-amyloid. Accelerated molecular dynamics simulations were performed to investigate molecular mechanisms of this process. Results showed that Aβ is strongly attracted to the surface of acetylcholinesterase and forms stable complexes. It was hypothesized that acetylcholinesterase serves as a nucleation center for propagation of β-amyloid aggregation.