Artificial Intelligence-based Amide-II Infrared Spectroscopy Simulation for Monitoring Protein Hydrogen Bonding Dynamics

S Ye, K Zhong, Y Huang, G Zhang… - Journal of the …, 2024 - ACS Publications
The structurally sensitive amide II infrared (IR) bands of proteins provide valuable
information about the hydrogen bonding of protein secondary structures, which is crucial for …

Misfolding of a human islet amyloid polypeptide at the lipid membrane populates through β-sheet conformers without involving α-helical intermediates

J Tan, J Zhang, Y Luo, S Ye - Journal of the American Chemical …, 2019 - ACS Publications
Amyloid formation has been implicated in many fatal diseases, but its mechanism remains to
be clarified due to a lack of effective methods that can capture the transient intermediates …

Raman Spectroscopic Insights of Phase-Separated Insulin Aggregates

S Dolui, A Roy, U Pal, S Kundu, E Pandit… - ACS Physical …, 2024 - ACS Publications
Phase-separated protein accumulation through the formation of several aggregate species
is linked to the pathology of several human disorders and diseases. Our current …

Order, disorder, and reorder state of lysozyme: aggregation mechanism by Raman spectroscopy

S Dolui, A Mondal, A Roy, U Pal, S Das… - The Journal of …, 2019 - ACS Publications
Lysozyme, like many other well-folded globular proteins, under stressful conditions
produces nanoscale oligomer assembly and amyloid-like fibrillar aggregates. With engaging …

Conformational evolution of molecular signatures during amyloidogenic protein aggregation

G Devitt, W Rice, A Crisford… - ACS chemical …, 2019 - ACS Publications
Aggregation is a pathological hallmark of proteinopathies such as Alzheimer's disease and
results in the deposition of β-sheet-rich amyloidogenic protein aggregates. Such …

Intrinsic origin of amyloid aggregation: Behavior of histidine (εεε) and (δδδ) tautomer homodimers of Aβ (1–40)

A Salimi, H Li, H Shi, JY Lee - … et Biophysica Acta (BBA)-General Subjects, 2019 - Elsevier
Amyloid-beta protein (Aβ) accumulation in the brain, which is influenced by several factors,
is a hallmark of Alzheimer's disease (AD). Despite the important role of histidine in …

Structural insight of amyloidogenic intermediates of human insulin

S Dolui, A Roy, U Pal, A Saha, NC Maiti - ACS omega, 2018 - ACS Publications
Engaging Raman spectroscopy as a primary tool, we investigated the early events of insulin
fibrilization and determined the structural content present in oligomer and protofibrils that are …

Application of the double-mutant cycle strategy to protein aggregation reveals transient interactions in amyloid-β Oligomers

A Das, A Korn, A Carroll, JA Carver… - The Journal of Physical …, 2021 - ACS Publications
Transient oligomeric intermediates in the peptide or protein aggregation pathway are
suspected to be the key toxic species in many amyloid diseases, but deciphering their …

Carvedilol inhibits Aβ25-35 fibrillation by intervening the early stage helical intermediate formation: a biophysical investigation

S Ghosh, S Verma - International journal of biological macromolecules, 2021 - Elsevier
Self-assembly of disordered amyloid-beta (Aβ) peptides results in highly ordered amyloid
fibrils. The structural information of the early-stage events and also in the presence of …

Impact of Mutations on the Conformational Transition from α-Helix to β-Sheet Structures in Arctic-Type Aβ40: Insights from Molecular Dynamics Simulations

RK Saini, S Shuaib, D Goyal, B Goyal - ACS omega, 2020 - ACS Publications
The amyloid-β (Aβ) protein aggregation into toxic oligomers and fibrils has been recognized
as a key player in the pathogenesis of Alzheimer's disease. Recent experiments reported …