AIMC Topic: alpha-Synuclein
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Molecular Insights into α-Synuclein Fibrillation: A Raman Spectroscopy and Machine Learning Approach.
ACS chemical neuroscience
Jan 28, 2025
The aggregation of α-synuclein is crucial to the development of Lewy body diseases, including Parkinson's disease and dementia with Lewy bodies. The aggregation pathway of α-synuclein typically involves a defined sequence of nucleation, elongation, a...
An integrated machine learning approach delineates an entropic expansion mechanism for the binding of a small molecule to α-synuclein.
eLife
Dec 18, 2024
The mis-folding and aggregation of intrinsically disordered proteins (IDPs) such as α-synuclein (αS) underlie the pathogenesis of various neurodegenerative disorders. However, targeting αS with small molecules faces challenges due to the lack of defi...
Discovery of potent inhibitors of α-synuclein aggregation using structure-based iterative learning.
Nature chemical biology
Apr 17, 2024
Machine learning methods hold the promise to reduce the costs and the failure rates of conventional drug discovery pipelines. This issue is especially pressing for neurodegenerative diseases, where the development of disease-modifying drugs has been ...
Artificial intelligence-driven drug repositioning uncovers efavirenz as a modulator of α-synuclein propagation: Implications in Parkinson's disease.
Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie
Mar 20, 2024
Parkinson's disease (PD) is a complex neurodegenerative disorder with an unclear etiology. Despite significant research efforts, developing disease-modifying treatments for PD remains a major unmet medical need. Notably, drug repositioning is becomin...
Deep Learning-Assisted Single-Molecule Detection of Protein Post-translational Modifications with a Biological Nanopore.
ACS nano
Dec 19, 2023
Protein post-translational modifications (PTMs) play a crucial role in countless biological processes, profoundly modulating protein properties on both spatial and temporal scales. Protein PTMs have also emerged as reliable biomarkers for several dis...
TFEB/LAMP2 contributes to PM-induced autophagy-lysosome dysfunction and alpha-synuclein dysregulation in astrocytes.
Journal of environmental sciences (China)
Oct 5, 2023
Atmospheric particulate matter (PM) exacerbates the risk factor for Alzheimer's and Parkinson's diseases (PD) by promoting the alpha-synuclein (α-syn) pathology in the brain. However, the molecular mechanisms of astrocytes involvement in α-syn pathol...
Probing the molecular mechanisms of α-synuclein inhibitors unveils promising natural candidates through machine-learning QSAR, pharmacophore modeling, and molecular dynamics simulations.
Molecular diversity
Jul 18, 2023
Parkinson's disease is characterized by a multifactorial nature that is linked to different pathways. Among them, the abnormal deposition and accumulation of α-synuclein fibrils is considered a neuropathological hallmark of Parkinson's disease. Sever...
Combination of liquid crystal and deep learning reveals distinct signatures of Parkinson's disease-related wild-type α-synuclein and six pathogenic mutants.
Chemistry, an Asian journal
Dec 21, 2021
α-Synuclein is a central player in Parkinson's disease (PD) pathology. Various point mutations in α-synuclein have been identified to alter the protein-phospholipid binding behavior and cause PD. Therefore, exploration of α-synuclein-phospholipid int...
Investigating the relationship between the SNCA gene and cognitive abilities in idiopathic Parkinson's disease using machine learning.
Scientific reports
Mar 1, 2021
Cognitive impairments are prevalent in Parkinson's disease (PD), but the underlying mechanisms of their development are unknown. In this study, we aimed to predict global cognition (GC) in PD with machine learning (ML) using structural neuroimaging, ...
Classifications of Neurodegenerative Disorders Using a Multiplex Blood Biomarkers-Based Machine Learning Model.
International journal of molecular sciences
Sep 21, 2020
Easily accessible biomarkers for Alzheimer's disease (AD), Parkinson's disease (PD), frontotemporal dementia (FTD), and related neurodegenerative disorders are urgently needed in an aging society to assist early-stage diagnoses. In this study, we aim...
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