ニュース

「Biophysics and Physicobiology」に Anne-Idil Farah, Satoru G. Itoh, Hisashi Okumura による "Molecular dynamics simulations of amyloid-β(29–42) aggregation in bulk water and at the air–water interface" をJ-STAGEの早期公開版として掲載

2025年12月06日 学会誌

日本生物物理学会欧文誌［Biophysics and Physicobiology］に以下の論文が早期公開されました。

Anne-Idil Farah, Satoru G. Itoh, Hisashi Okumura
"Molecular dynamics simulations of amyloid-β(29–42) aggregation in bulk water and at the air–water interface"

URL:https://doi.org/10.2142/biophysico.bppb-v22.0033


Large Image

Abstract
Oligomers of amyloid-β (Aβ) peptides are related to Alzheimer’s disease, and their formation is accelerated at hydrophilic–hydrophobic interfaces. We performed all-atom molecular dynamics simulations of Aβ(29–42) peptides in bulk water and at an air–water interface. In bulk water, the fragments formed stable aggregates, and the secondary structures were hardly changed. At the interface, the peptides were more easily separated from each other due to the low free-energy barrier and changed their secondary structures more frequently. This conformational flexibility is likely to promote amyloid fibril growth, suggesting a key role of interfacial environments in early aggregation processes.

URL: https://doi.org/10.2142/biophysico.bppb-v22.0033


シェア

前のページに戻る