Intrinsically disordered proteins in various hypotheses on the pathogenesis of Alzheimer's and Parkinson's diseases

O Coskuner, VN Uversky - Progress in molecular biology and translational …, 2019 - Elsevier
Amyloid-β (Aβ) and α-synuclein (αS) are two intrinsically disordered proteins (IDPs) at the
centers of the pathogenesis of Alzheimer's and Parkinson's diseases, respectively. Different …

Zinc binding promotes greater hydrophobicity in Alzheimer's Aβ42 peptide than copper binding: Molecular dynamics and solvation thermodynamics studies

S Boopathi, P Dinh Quoc Huy… - Proteins: Structure …, 2020 - Wiley Online Library
The aggregation of Aβ42 peptides is considered as one of the main causes for the
development of Alzheimer's disease. In this context, Zn2+ and Cu2+ play a significant role in …

Structural dynamics of inosine triphosphate pyrophosphatase (ITPA) protein and two clinically relevant mutants: molecular dynamics simulations

Y Houndonougbo, B Pugh, K VanWormer… - Journal of …, 2021 - Taylor & Francis
The inosine triphosphate pyrophosphatase (ITPA) protein is responsible for removing
noncanonical purine nucleoside triphosphates from intracellular nucleotide pools. Absence …

Identification of novel polymorphism and in silico analysis of caprine DNAJB3 gene

L Mohanty, C Mishra, SK Pradhan, SR Mishra… - Small Ruminant …, 2021 - Elsevier
DNAJB3 acts as a cochaperon and stimulates ATPase activity of HSP family genes through
its J domain. An in vivo and in silico study was conducted to get comprehensive idea on the …

Studies on the structure and conformational flexibility of secondary structures in amyloid beta—A quantum chemical study

M Ganesan, S Paranthaman - Journal of Theoretical and …, 2020 - World Scientific
Density functional theory (DFT) calculations are performed to study the conformational
flexibility of secondary structures in amyloid beta (A β) polypeptide. In DFT, M06-2X/6-31+ G …