A brief history of amyloid aggregation simulations

H Fatafta, M Khaled, B Kav, OO Olubiyi… - Wiley Interdisciplinary …, 2024 - Wiley Online Library
Amyloid proteins are characterized by their tendency to aggregate into amyloid fibrils, which
are often associated with devastating diseases. Aggregation pathways typically involve …

Computational Investigation of Coaggregation and Cross-Seeding between Aβ and hIAPP Underpinning the Cross-Talk in Alzheimer's Disease and Type 2 Diabetes

X Fan, X Zhang, J Yan, H Xu, W Zhao… - Journal of Chemical …, 2024 - ACS Publications
The coexistence of amyloid-β (Aβ) and human islet amyloid polypeptide (hIAPP) in the brain
and pancreas is associated with an increased risk of Alzheimer's disease (AD) and type 2 …

Computational insights into the cross-talk between medin and Aβ: implications for age-related vascular risk factors in Alzheimer's disease

F Huang, X Fan, Y Wang, Y Zou, J Lian… - Briefings in …, 2024 - academic.oup.com
The aggregation of medin forming aortic medial amyloid is linked to arterial wall
degeneration and cerebrovascular dysfunction. Elevated levels of arteriolar medin are …

Co-aggregation of α-synuclein with amyloid-β stabilizes β-sheet-rich oligomers and enhances the formation of β-barrels

F Huang, Y Liu, Y Wang, J Xu, J Lian, Y Zou… - Physical Chemistry …, 2023 - pubs.rsc.org
Alzheimer's disease (AD) and Parkinson's disease (PD) are the two most common
neurodegenerative diseases with markedly different pathological features of β-amyloid (Aβ) …

Molecular insights into the effects of F16L and F19L substitutions on the conformation and aggregation dynamics of human calcitonin

F Huang, J Huang, J Yan, Y Liu, J Lian… - Journal of Chemical …, 2024 - ACS Publications
Human calcitonin (hCT) regulates calcium–phosphorus metabolism, but its amyloid
aggregation disrupts physiological activity, increases thyroid carcinoma risk, and hampers …

Unveiling medin folding and dimerization dynamics and conformations via atomistic discrete molecular dynamics simulations

F Huang, X Fan, Y Wang, C Wang, Y Zou… - Journal of chemical …, 2023 - ACS Publications
Medin is a principal component of localized amyloid found in the vasculature of individuals
over 50 years old. Its amyloid aggregation has been linked to endothelial dysfunction and …

Computational insights into the aggregation mechanism and amyloidogenic core of aortic amyloid medin polypeptide

F Huang, J Yan, X Zhang, H Xu, J Lian, X Yang… - Colloids and Surfaces B …, 2024 - Elsevier
Medin amyloid, prevalent in the vessel walls of 97% of individuals over 50, contributes to
arterial stiffening and cerebrovascular dysfunction, yet our understanding of its aggregation …

Deciphering the influence of Y12L and N17H substitutions on the conformation and oligomerization of human calcitonin

J Yan, Y Wang, X Fan, Y Zou, F Ding, F Huang, Y Sun - Soft matter, 2024 - pubs.rsc.org
The abnormal aggregation of human calcitonin (hCT) hormone peptides impairs their
physiological function, leading to harmful immune responses and cytotoxicity, which limits …

Polystyrene Nanoplastics Hitch-Hike the Gut–Brain Axis to Exacerbate Parkinson's Pathology

X Liang, G Huang, Y Wang, N Andrikopoulos, H Tang… - ACS …, 2025 - ACS Publications
The neurological implications of micro-and nanoplastic exposure have recently come under
scrutiny due to the environmental prevalence of these synthetic materials. Parkinson's …

Exploring the Impact of Physiological C-Terminal Truncation on α-Synuclein Conformations to Unveil Mechanisms Regulating Pathological Aggregation

F Huang, J Yan, H Xu, Y Wang, X Zhang… - Journal of Chemical …, 2024 - ACS Publications
Emerging evidence suggests that physiological C-terminal truncation of α-synuclein (αS)
plays a critical role in regulating liquid–liquid phase separation and promoting amyloid …