In silico analyses of a promising drug candidate for the treatment of amyotrophic lateral sclerosis targeting superoxide dismutase I protein

GRC Pereira, BA Abrahim-Vieira, JF de Mesquita - Pharmaceutics, 2023 - mdpi.com
Amyotrophic lateral sclerosis (ALS) is the most prevalent motor neuron disorder in adults,
which is associated with a highly disabling condition. To date, ALS remains incurable, and …

Comprehensive in silico analysis and molecular dynamics of the superoxide dismutase 1 (SOD1) variants related to amyotrophic lateral sclerosis

GRC Pereira, BAA Vieira, JF De Mesquita - PLoS One, 2021 - journals.plos.org
Amyotrophic Lateral Sclerosis (ALS) is the most frequent motor neuron disorder, with a
significant social and economic burden. ALS remains incurable, and the only drugs …

The role of superoxide dismutase 1 in amyotrophic lateral sclerosis: identification of signaling pathways, regulators, molecular interaction networks, and biological …

SK Suthar, SY Lee - Brain Sciences, 2023 - mdpi.com
Mutations in superoxide dismutase 1 (SOD1) result in misfolding and aggregation of the
protein, causing neurodegenerative amyotrophic lateral sclerosis (ALS). In recent years …

In silico analysis of SOD1 aggregation inhibition modes of tertiary amine pyrazolone and pyrano coumarin ferulate as ALS drug candidates

A Rahman, B Saikia, A Baruah - Physical Chemistry Chemical Physics, 2023 - pubs.rsc.org
Amyotrophic lateral sclerosis (ALS) is a fatal neurodegenerative disease, the familial form
(fALS) of which is often cognate to mutations in the antioxidant enzyme Cu/Zn superoxide …

[HTML][HTML] Development of in silico analysis and molecular dynamics simulation on L67P and D76Y mutants of the human superoxide dismutase 1 (hSOD1) related to …

P Baziyar, B Seyedalipour… - Iranian Journal of …, 2022 - ncbi.nlm.nih.gov
Background: One neurodegenerative disorder that is caused by a mutation in the hSOD1
gene is Amyotrophic lateral sclerosis (ALS). Objectives: The current study was developed in …

Novel chemical inhibitor against SOD1 misfolding and aggregation protects neuron-loss and ameliorates disease symptoms in ALS mouse model

TG Woo, MH Yoon, S Kang, S Park, JH Cho… - Communications …, 2021 - nature.com
Abstract Amyotrophic Lateral Sclerosis (ALS) is a fatal neurodegenerative disease
characterized by selective death of motor neurons. Mutations in Cu, Zn-superoxide …

Biochemical and biophysical properties of the novel ALS-linked hSOD1 mutants: an experimental study accompanied by in silico analysis

N Namadyan, B Seyedalipour, S Hosseinkhani… - Journal of the Iranian …, 2023 - Springer
Familial amyotrophic lateral sclerosis (fALS) is a neurodegenerative disorder; approximately
20% are caused by dominant mutations in the gene encoding Cu/Zn human superoxide …

First Principles Calculation of Protein–Protein Dimer Affinities of ALS-Associated SOD1 Mutants

SCC Hsueh, M Nijland, X Peng, B Hilton… - Frontiers in molecular …, 2022 - frontiersin.org
Cu, Zn superoxide dismutase (SOD1) is a 32 kDa homodimer that converts toxic oxygen
radicals in neurons to less harmful species. The dimerization of SOD1 is essential to the …

Unveiling local and global conformational changes and allosteric communications in SOD1 systems using molecular dynamics simulation and network analyses

S Basith, B Manavalan, G Lee - Computers in Biology and Medicine, 2024 - Elsevier
Background Amyotrophic lateral sclerosis (ALS) is a serious neurodegenerative disorder
affecting nerve cells in the brain and spinal cord that is caused by mutations in the …

Computational simulation analysis on human SOD1 mutant (H80R) exposes the structural destabilization and the deviation of Zn binding that directs familial …

E Srinivasan, R Rajasekaran - Journal of Biomolecular Structure …, 2017 - Taylor & Francis
Amyotrophic lateral sclerosis (ALS) is a devastating progressive disease characterized by
motor neuron degeneration causing muscle weakness and paralysis, which ultimately lead …