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72 results for “acetylcholinesterase”
Identifying Unexpected Neurotoxicity Drivers with Acetylcholinesterase Inhibition by Virtual Effect-Directed Analysis in Nationwide Estuarine Waters
<p><span>Neurotoxicity is frequently observed in the global aquatic environment, </span><span>threatening aquatic ecosystems and human health</span><span>. </span><span>However, </span><span>a very limited proportion of neurotoxic effects (~1%) has been explained by known chemicals of concern. Here, we integrated</span><span> machine learning, nontargeted analysis, and <em>in vitro</em> biotesting</span><span> to identify neurotoxic drivers of acetylcholinesterase (AChE) inhibition in estuarine waters along the coastline of China. Machine learning was used as a virtual fractionation tool to reduce the complexity of chemical mixtures, thus guiding nontargeted screening of AChE inhibitors. Ultimately, sixty chemicals with diverse </span><span>known and presently unknown</span><span> structures were identified, explaining 82.1% of the observed AChE inhibition </span><span>in estuarine water samples</span><span>. Polyunsaturated fatty acids were unexpectedly found to be neurotoxic drivers, accounting for 80.5% of the overall effect. This proof-of-concept study demonstrates that our approach enables rapid and comprehensive screening of </span><span>causative organic pollutants</span><span> </span><span>associated with various <em>in vitro</em> endpoints </span><span>for large-scale monitoring of water quality</span><span>.</span></p>
Inhibitors and reactivators of acetylcholinesterase - structural and computational insight [dataset]
<div> <p>The dataset comprises:<br>i) AlphaFold predictions for acetylcholinesterase<br>ii) MD simulations input files <br>iii) PyMOL sessions from AQUA-DUCT calculations</p> </div>
Acetylcholinesterase Inhibitors to Improve Cognitive Function and Overall Rehabilitation After a Stroke
ClinicalTrials.gov study NCT00227994. IPD Sharing: YES. Countries: 1. Publications: 1.
Study of Idalopirdine in Patients With Mild - Moderate Alzheimer's Disease Treated With an Acetylcholinesterase Inhibitor
ClinicalTrials.gov study NCT02006654. IPD Sharing: Not stated. Countries: 15. Publications: 3.
Fig. 6 in Insight into tetrahydrofuran lignans from Isatis indigotica fortune with neuroprotective and acetylcholinesterase inhibitor activity
Fig. 6. The neuroprotective effects of compounds 1a/1b-7 against H2O2-induced injury in SH-SY5Y cells. After H2O2 (200 μM) treatment, cell viabilities were determined by MTT assay in the presence or absence of the tested compounds at different concentrations (12.5, 25, 50 μM).
Fig. 7 in Thirteen cyathane diterpenoids with acetylcholinesterase inhibitory effects from the fungus Cyathus africanus
Fig. 7. The binding modes of 9 (A), 10 (B) and 11 (C) with human AChE (PDB ID: 4M0F). Hydrogen bond interactions were depicted with red dotted lines in Å. (For interpretation of the references to color in this figure legend, the reader is referred to the Web version of this article.)
Fig. 6 in Euphorfinoids E-L: Diterpenoids from the roots of Euphorbia fischeriana with acetylcholinesterase inhibitory activity
Fig. 6. Post-docking interactions between active residues of AChE with compound 1. (A) the protein was depicted in surface view and ligands as stick in the binding pocket. (B) schematic drawing of types of interactions of the ligands generated using ligplot.
Fig. 2 in (þ/¡)-Dievodialetins A¡G: Seven pairs of enantiomeric coumarin dimers with anti-acetylcholinesterase activity from the roots of Evodia lepta Merr.
Fig. 2. (A) Key 1H–1H COSY (red bold lines) and HMBC (blue arrows) correlations of 1. (B) X-ray ORTEP schematic of 1. (For interpretation of the references to colour in this figure legend, the reader is referred to the Web version of this article.)
Fig. 5. Compounds 1–9 in (þ/¡)-Dievodialetins A¡G: Seven pairs of enantiomeric coumarin dimers with anti-acetylcholinesterase activity from the roots of Evodia lepta Merr.
Fig. 5. Compounds 1–9 ameliorate oxidative stress and neuroinflammation in scopolamine-treated SH-SY5Y cells.
Fig. 6. Linear correlation plots between the experimental and calculated 13C in Structurally diverse alkaloids with nine frameworks from Zephyranthes candida and their acetylcholinesterase inhibitory and anti-inflammatory activities
Fig. 6. Linear correlation plots between the experimental and calculated 13C NMR data for two isomers of 2.
Fig. 4 in Structurally diverse alkaloids with nine frameworks from Zephyranthes candida and their acetylcholinesterase inhibitory and anti-inflammatory activities
Fig. 4. Experimental and calculated ECD spectra of zephyranines A (1) and B (2) and their enantiomers.
Fig. 3. Linear correlation plots between the experimental and calculated 13C in Structurally diverse alkaloids with nine frameworks from Zephyranthes candida and their acetylcholinesterase inhibitory and anti-inflammatory activities
Fig. 3. Linear correlation plots between the experimental and calculated 13C NMR data for four isomers of 1.
Fig. 10 in Structurally diverse alkaloids with nine frameworks from Zephyranthes candida and their acetylcholinesterase inhibitory and anti-inflammatory activities
Fig. 10. The binding modes of 1 (A), 7 (B), 8 (C), and galanthamine (D) with AChE (PDB ID: 4M0E). The hydrogen bonds are indicated by red dashed lines. (For interpretation of the references to color in this figure legend, the reader is referred to the Web version of this article.)
Fig. 8 in Structurally diverse alkaloids with nine frameworks from Zephyranthes candida and their acetylcholinesterase inhibitory and anti-inflammatory activities
Fig. 8. Experimental ECD spectra of zephyranines G–I (7–9), 6-O-ethylnerinine (10) and the calculated ECD spectra of zephyranine G (7), the aglycone of zephyranine H (8), zephyranine I (9), 6-O-ethylnerinine (10), and their enantiomers.
Fig. 7 in Structurally diverse alkaloids with nine frameworks from Zephyranthes candida and their acetylcholinesterase inhibitory and anti-inflammatory activities
Fig. 7. Experimental and calculated ECD spectra of zephyranines C F (3–6), isolated as mixtures of respective 6-epimers (d. r. 75: 25), and their enantiomers.
Fig. 3 in Gigantelline, gigantellinine and gigancrinine, cherylline- and crinine-type alkaloids isolated from Crinum jagus with anti-acetylcholinesterase activity
Fig. 3. Experimental ECD spectra of gigantelline (1) (black solid line), gigantellinine (2) (blue dotted line) and cherylline (5) (green dashed line) measured in methanol (ca. 3 mM, 0.1 cm cell). (For interpretation of the references to color in this figure legend, the reader is referred to the Web version of this article.)
Evaluate the Efficacy and Safety of ABT-126 in Subjects With Mild to Moderate Alzheimer's Disease on Stable Doses of Acetylcholinesterase Inhibitors
ClinicalTrials.gov study NCT01549834. IPD Sharing: Not stated. Countries: 7. Publications: 1.
Study to Evaluate the Safety, Tolerability, and Pharmacokinetics of ABT-957 in Subjects With Mild-to-Moderate Alzheimer's Disease on Stable Doses of Acetylcholinesterase Inhibitors
ClinicalTrials.gov study NCT02220738. IPD Sharing: Not stated. Countries: 1. Publications: 1.
Effect of Acetylcholinesterase Inhibitors on Bone Metabolism
ClinicalTrials.gov study NCT06041789. IPD Sharing: NO. Countries: 1. Publications: 0.
Effect of Acetylcholinesterase Inhibitors on the Gait of the Patients With Parkinson Disease
ClinicalTrials.gov study NCT03011476. IPD Sharing: NO. Countries: 1. Publications: 6.
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OpenNeuro
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