Inhibitory mechanisms of amentoflavone on amyloid-β peptide aggregation revealed by replica exchange molecular dynamics

Inhibitory mechanisms of amentoflavone on amyloid-β peptide aggregation revealed by replica exchange molecular dynamics

Abstract Amyloid-β (Aβ) aggregation is a central pathological hallmark of Alzheimer’s disease, with soluble trimers recognized as particularly neurotoxic species. Amentoflavone (AMF), a natural biflavonoid compound, has shown strong inhibitory effects on Aβ aggregation. However, its underlying molec...

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Bibliographic Details
Main Authors: Suxia Wu, Chang Liu, Yang Li, Xiaoyu Zhang, Qianji Han, Heng Zhao, Kun Zhao, Yaru Dang, Ruihan Wang, Shitao Song
Format: Article
Language:English
Published: Nature Portfolio 2025-07-01
Series:Scientific Reports
Subjects:
Amyloid-β aggregation
Amentoflavone
Molecular dynamics simulation
Aggregation Inhibition mechanism
Virtual screening
Online Access:https://doi.org/10.1038/s41598-025-10623-9
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