Wild-Type α-Synuclein Structure and Aggregation: A Comprehensive Coarse-Grained and All-Atom Molecular Dynamics Study

GF Martins, N Galamba - Journal of Chemical Information and …, 2024 - ACS Publications
α-Synuclein (α-syn) is a 140 amino acid intrinsically disordered protein (IDP) and the
primary component of cytotoxic oligomers implicated in the etiology of Parkinson's disease …

Unveiling how hydroxytyrosol destabilizes α-syn oligomers using molecular simulations

G Kaur, OK Mankoo, D Goyal… - The Journal of Physical …, 2023 - ACS Publications
The etiology of Parkinson's disease (PD) is mainly linked to the α-synuclein (α-Syn)
fibrillogenesis. Hydroxytyrosol (HT), also known as 3, 4-dihydroxyphenylethanol, is a …

The active components of Erzhi wan and their anti-Alzheimer's disease mechanisms determined by an integrative approach of network pharmacology, bioinformatics …

M Yu, Z Shen, S Zhang, Y Zhang, H Zhao, L Zhang - Heliyon, 2024 - cell.com
Erzhi Wan (EZW), a classic Traditional Chinese Medicine formula, has shown promise as a
potential therapeutic option for Alzheimer's disease (AD), yet its mechanism remains elusive …

Structural Reorganization Mechanism of the Aβ42 Fibril Mediated by N-Substituted Oligopyrrolamide ADH-353

A Dabas, B Goyal - ACS Chemical Neuroscience, 2024 - ACS Publications
The inhibition of amyloid-β (Aβ) fibrillation and clearance of Aβ aggregates have emerged
as a potential pharmacological strategy to alleviate Aβ aggregate-induced neurotoxicity in …

A study of alpha-synuclein and poly (N-isopropylacrylamide) complex formation through detailed atomistic simulations

S Ektirici, V Harmandaris - Soft Matter, 2025 - pubs.rsc.org
This work presents a comprehensive investigation of the influence of poly (N-
isopropylacrylamide)(PNIPAM) polymer on the structural dynamics of intrinsically disordered …