Role of water in protein aggregation and amyloid polymorphism

D Thirumalai, G Reddy, JE Straub - Accounts of chemical …, 2012 - ACS Publications
A variety of neurodegenerative diseases are associated with amyloid plaques, which begin
as soluble protein oligomers but develop into amyloid fibrils. Our incomplete understanding …

Polymorphism in Alzheimer Aβ amyloid organization reflects conformational selection in a rugged energy landscape

Y Miller, B Ma, R Nussinov - Chemical reviews, 2010 - ACS Publications
Amyloids can have normal biological functions. 1r3 However, amyloidogenic proteins can
also form unwanted oligomeric or polymeric aggregates when disturbed from their native …

Structural conversion of neurotoxic amyloid-β1–42 oligomers to fibrils

M Ahmed, J Davis, D Aucoin, T Sato, S Ahuja… - Nature structural & …, 2010 - nature.com
Abstract The amyloid-β1–42 (Aβ42) peptide rapidly aggregates to form oligomers, protofibils
and fibrils en route to the deposition of amyloid plaques associated with Alzheimer's …

Assessing the stability of Alzheimer's amyloid protofibrils using molecular dynamics

JA Lemkul, DR Bevan - The Journal of Physical Chemistry B, 2010 - ACS Publications
Amyloid fibrils represent a stable form of many misfolded proteins associated with numerous
diseases. Among these are Parkinson's disease (α-synuclein), Type II diabetes (islet …

Pathways of amyloid-β aggregation depend on oligomer shape

B Barz, Q Liao, B Strodel - Journal of the American Chemical …, 2018 - ACS Publications
One of the main research topics related to Alzheimer's disease is the aggregation of the
amyloid-β peptide, which was shown to follow different pathways for the two major alloforms …

Toward a molecular theory of early and late events in monomer to amyloid fibril formation

JE Straub, D Thirumalai - Annual review of physical chemistry, 2011 - annualreviews.org
Quantitative understanding of the kinetics of fibril formation and the molecular mechanism of
transition from monomers to fibrils is needed to obtain insights into the growth of amyloid …

Elucidating ATP's role as solubilizer of biomolecular aggregate

S Sarkar, S Gupta, C Mahato, D Das, J Mondal - Elife, 2024 - elifesciences.org
Proteins occurring in significantly high concentrations in cellular environments (over 100
mg/ml) and functioning in crowded cytoplasm, often face the prodigious challenges of …

Amyloid β-protein monomer folding: free-energy surfaces reveal alloform-specific differences

M Yang, DB Teplow - Journal of molecular biology, 2008 - Elsevier
Alloform-specific differences in structural dynamics between amyloid β-protein (Aβ) 40 and
Aβ42 appear to underlie the pathogenesis of Alzheimer's disease. To elucidate these …

Dynamics of an intrinsically disordered protein reveal metastable conformations that potentially seed aggregation

Q Qiao, GR Bowman, X Huang - Journal of the American …, 2013 - ACS Publications
Amyloid fibril deposits of the intrinsically disordered hIAPP peptide are found in 95% of type
II diabetes patients, and the aggregation of this peptide is suggested to induce apoptotic cell …

Inhibition of aggregation of amyloid peptides by beta-sheet breaker peptides and their binding affinity

MH Viet, ST Ngo, NS Lam, MS Li - The Journal of Physical …, 2011 - ACS Publications
The effects of beta-sheet breaker peptides KLVFF and LPFFD on the oligomerization of
amyloid peptides were studied by all-atom simulations. It was found that LPFFD interferes …