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25 results for “Acetylcholinesterase inhibitor”
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).
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.
Figure 5 from: Mateev E, Irfan A, Mateeva A, Kondeva-Burdina M, Georgieva M, Zlatkov A (2024) In silico and in vitro screening of pyrrole-based Hydrazide-Hydrazones as novel acetylcholinesterase inhibitors. Pharmacia 71: 1-7. https://doi.org/10.3897/pharmacia.71.e114120
Figure 5 Major intermolecular interactions between 12d and the active site of AChE (PDB: 1Q84). The interactions are provided in 2D (A) and 3D (B) forms. The AChE enzyme is depicted in grey while the active inhibitor – 12d, is presented as green sticks with its electrostatic potential.
Figure 4 from: Mateev E, Irfan A, Mateeva A, Kondeva-Burdina M, Georgieva M, Zlatkov A (2024) In silico and in vitro screening of pyrrole-based Hydrazide-Hydrazones as novel acetylcholinesterase inhibitors. Pharmacia 71: 1-7. https://doi.org/10.3897/pharmacia.71.e114120
Figure 4 Inhibitory activity of the top ranked ligands against AChE (10 μM concentrations). * P < 0.1; *** P < 0.001 vs control (pure eeAChE). Data are presented as means from three independent experiments ± SD.
Supplementary material 1 from: Mateev E, Irfan A, Mateeva A, Kondeva-Burdina M, Georgieva M, Zlatkov A (2024) In silico and in vitro screening of pyrrole-based Hydrazide-Hydrazones as novel acetylcholinesterase inhibitors. Pharmacia 71: 1-7. https://doi.org/10.3897/pharmacia.71.e114120
Docking scores and MM/GBSA recalculation of the applied dataset
Figure 3 from: Mateev E, Irfan A, Mateeva A, Kondeva-Burdina M, Georgieva M, Zlatkov A (2024) In silico and in vitro screening of pyrrole-based Hydrazide-Hydrazones as novel acetylcholinesterase inhibitors. Pharmacia 71: 1-7. https://doi.org/10.3897/pharmacia.71.e114120
Figure 3 Superimposed native conformation of TZ4 and the re-docking conformations acquired with Glide (A) and GOLD 5.3 (B).
Fig. 7 in Insight into tetrahydrofuran lignans from Isatis indigotica fortune with neuroprotective and acetylcholinesterase inhibitor activity
Fig. 7. Molecular docking of 1b within AChE (PDB ID:1EVE) binding pocket.
Fig. 3 in Insight into tetrahydrofuran lignans from Isatis indigotica fortune with neuroprotective and acetylcholinesterase inhibitor activity
Fig. 3. The key NOESY correlations of compounds 1 and 2.
Fig. 4 in Insight into tetrahydrofuran lignans from Isatis indigotica fortune with neuroprotective and acetylcholinesterase inhibitor activity
Fig. 4. MAEΔΔδ parameters of 1 and 2 based on calculated and experimental NMR chemical shifts.
Fig. 2. Key HMBC correlations for compounds 1 and 2 in Insight into tetrahydrofuran lignans from Isatis indigotica fortune with neuroprotective and acetylcholinesterase inhibitor activity
Fig. 2. Key HMBC correlations for compounds 1 and 2.
Fig. 5. Experimental and calculated ECD spectra for compounds 1a in Insight into tetrahydrofuran lignans from Isatis indigotica fortune with neuroprotective and acetylcholinesterase inhibitor activity
Fig. 5. Experimental and calculated ECD spectra for compounds 1a/1b and 2 in MeOH.
Fig. 1 in Insight into tetrahydrofuran lignans from Isatis indigotica fortune with neuroprotective and acetylcholinesterase inhibitor activity
Fig. 1. Tetrahydrofuran type spiro-lignans isolated from the leaves of I. indigotica.
Figure 2 from: Mateev E, Irfan A, Mateeva A, Kondeva-Burdina M, Georgieva M, Zlatkov A (2024) In silico and in vitro screening of pyrrole-based Hydrazide-Hydrazones as novel acetylcholinesterase inhibitors. Pharmacia 71: 1-7. https://doi.org/10.3897/pharmacia.71.e114120
Figure 2 General core structure of the employed in-house database.
Figure 1 from: Mateev E, Irfan A, Mateeva A, Kondeva-Burdina M, Georgieva M, Zlatkov A (2024) In silico and in vitro screening of pyrrole-based Hydrazide-Hydrazones as novel acetylcholinesterase inhibitors. Pharmacia 71: 1-7. https://doi.org/10.3897/pharmacia.71.e114120
Figure 1 Workflow for identifying novel pyrrole-based acetylcholinesterase inhibitors.
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