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 …

Integrated modeling of protein and RNA

H Liu, Y Zhao - Briefings in Bioinformatics, 2024 - academic.oup.com
The correct functioning of organisms heavily relies on proteins and RNAs, which hold
significant roles in governing biological pathways and mechanisms from a molecular …

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 …

Deciphering the morphological difference of Amyloid-β fibrils in familial and sporadic Alzheimer's diseases

G Huang, Z Song, Y Xu, Y Sun… - Journal of Chemical …, 2024 - ACS Publications
The aggregation of amyloid-β (Aβ) into amyloid fibrils is the major pathological hallmark of
Alzheimer's disease (AD). Aβ fibrils can adopt a variety of morphologies, the relative …

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 …

Integrating network pharmacology and in silico analysis deciphers Withaferin-A's anti-breast cancer potential via hedgehog pathway and target network interplay

M Srinivasan, A Gangurde, AY Chandane… - Briefings in …, 2024 - academic.oup.com
This study examines the remarkable effectiveness of Withaferin-A (WA), a withanolide
obtained from Withania somnifera (Ashwagandha), in encountering the mortiferous breast …

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 …

Computational insights into the aggregation mechanism of human calcitonin

F Huang, X Fan, H Xu, Z Lv, Y Zou, J Lian… - International Journal of …, 2025 - Elsevier
Human calcitonin (hCT) is a peptide hormone that regulates calcium homeostasis, but its
abnormal aggregation can disrupt physiological functions and increase the risk of medullary …

The Physical Driving Forces of Conformational Transition for TTR91–96 with Proline Mutations

Y Cao, P **a, Y Zhu, Q Zhao, H Li - Journal of Chemical …, 2024 - ACS Publications
Pathological aggregation of essentially dissociated Transthyretin (TTR) monomer proteins,
driven by misfolding and self-interaction, is associated with Transthyretin amyloidosis …

Islet amyloid polypeptide fibril catalyzes amyloid-β aggregation by promoting fibril nucleation rather than direct axial growth

Z Song, H Tang, A Gatch, Y Sun, F Ding - International Journal of Biological …, 2024 - Elsevier
Aberrant aggregation of amyloid-β (Aβ) and islet amyloid polypeptide (IAPP) into amyloid
fibrils underlies the pathogenesis of Alzheimer's disease (AD) and type 2 diabetes (T2D) …