Edaravone inhibits the conformational transition of amyloid-β42: insights from molecular dynamics simulations

F Liu, Z Ma, J Sang, F Lu - Journal of Biomolecular Structure and …, 2020 - Taylor & Francis
Previous work has shown that edaravone inhibits fibrillogenesis of amyloid-β protein (Aβ).
However, the detailed mechanism by which edaravone inhibits the conformational transition …

Identification of new pentapeptides as potential inhibitors of amyloid–β42 aggregation using virtual screening and molecular dynamics simulations

A Kaur, B Goyal - Journal of Molecular Graphics and Modelling, 2023 - Elsevier
Alzheimer's disease (AD) is a multifactorial neurodegenerative disease mainly characterized
by extracellular accumulation of amyloid-β (Aβ) peptide. Previous studies reported …

[PDF][PDF] 尿素和二甲基亚砜诱导DhaA 变性的分子动力学模拟

郑禾, 杨盛江, 郑永超, 崔燕, 郭旋, 钟近艺, 周健 - 化工学报, 2019 - hgxb.cip.com.cn
DhaA 能够有效降解化学毒剂芥子气, 而环境耐受性差影响了其在军事洗消中的应用.
虽然已有研究表明定向进化, 化学修饰, 固定化有利于提高DhaA 在尿素, 二甲基亚砜(DMSO) …