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72 results for “acetylcholinesterase”
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.
Fig. 3 in Thirteen cyathane diterpenoids with acetylcholinesterase inhibitory effects from the fungus Cyathus africanus
Fig. 3. Key NOESY correlations and ECD spectra of 2 and 4.
Fig. 5 in Thirteen cyathane diterpenoids with acetylcholinesterase inhibitory effects from the fungus Cyathus africanus
Fig. 5. ORTEP drawing of neocyathin K (12).
Fig. 1 in Thirteen cyathane diterpenoids with acetylcholinesterase inhibitory effects from the fungus Cyathus africanus
Fig. 1. Chemical structures of 1–13 isolated from C. africanus.
Fig. 4. Key 1H–1H in Thirteen cyathane diterpenoids with acetylcholinesterase inhibitory effects from the fungus Cyathus africanus
Fig. 4. Key 1H–1H COSY and HMBC correlations of 1 8.
Fig. 6 in Thirteen cyathane diterpenoids with acetylcholinesterase inhibitory effects from the fungus Cyathus africanus
Fig. 6. ORTEP drawing of cyathin I (13) and its configuration correction.
Fig. 5. Proposed biosynthetic pathway for 1 in Euphorfinoids E-L: Diterpenoids from the roots of Euphorbia fischeriana with acetylcholinesterase inhibitory activity
Fig. 5. Proposed biosynthetic pathway for 1.
Fig. 1 in Euphorfinoids E-L: Diterpenoids from the roots of Euphorbia fischeriana with acetylcholinesterase inhibitory activity
Fig. 1. Structures of compounds 1–20 isolated from E. fischeriana Steud.
Fig. 4 in Euphorfinoids E-L: Diterpenoids from the roots of Euphorbia fischeriana with acetylcholinesterase inhibitory activity
Fig. 4. The ORTEP drawing of 1.
Fig. 2. Key 1H–1H in Euphorfinoids E-L: Diterpenoids from the roots of Euphorbia fischeriana with acetylcholinesterase inhibitory activity
Fig. 2. Key 1H–1H COSY, and HMBC correlations of compounds 1–8.
Fig. 2 in Diterpenoid alkaloids from Aconitum anthoroideum that offer protection against MPP -Induced apoptosis of SH-SY5Y cells and acetylcholinesterase inhibitory activity
Fig. 2. Plausible biosynthetic pathway of anthoroidine a (1).
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