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Table 2 List of the 50 anti-AChE ligands with their experimental IC50 values used in the experiment

From: Identification of the most potent acetylcholinesterase inhibitors from plants for possible treatment of Alzheimer’s disease: a computational approach

No Name of the compound PubChem CID Source plant IC50 value References
01 Geraniol 637566 Boesenbergia Pandurata 200±0.21 μg/ml [26, 27]
02 Bellidifolin 5281623 Swertia chirata 18.47 ± 0.47 μg/ml [28]
03 Mangiferin 5281647 S. chirata 4.07 ± 0.06 μg/ml [28]
04 Allocryptopine 98570 Chelidonium majus 250 ± 2.5 μM [29]
05 Chelidonine 197810 Chelidonium majus 26.8 ± 1.2 μM [30]
06 Isorhamnetin 5281654 Calendula officinalis 24.18 ± 0.74 μM [31]
07 Quercetin 5280343 Calendula officinalis 14.37 ± 0.34 μM [30]
08 Myricetin 5281672 Scabiosa arenaria 190 ± 0.41 μg/ml [26, 27]
09 Ostruthin 5281420 Peucedanum ostruthium [32]
10 Ostruthol 6441273 Peucedanum ostruthium [32]
11 Corynoline 177014 Corydalis incisa 30.6 μM/mL [33]
12 Imperatorin 10212 Peucedanum ostruthium, Angelica dahurica 63.7 μM [32, 33]
13 Rupicoline 633439 Tabernaemontana australis [34]
14 Stylopine 6770 Corydalis crispa, Chelidonium majus 114 ± 2.9 μM [29, 35]
15 Scoulerine 22955 Corydalis dubia 245 μM [35]
16 Ochrobirine 629543 Corydalis crispa [35]
17 Estragole 8815 O. basilicum, O. africanum, O.americanum, and O. minimum 0.337 μM [36]
18 Naringenin 932 Citrus junos 28.2 to 134.5 μM [37, 38]
19 Carvacrol 10364 Thymus vulgaris 0.175 mM [39,40,41]
20 Myrtenal 61130 Taxus baccata 0.17 ± 0.01 mM [41]
21 Verbenone 29025 Taxus baccata 2.66 ± 1.04 mM [41]
22 Cyclonataminol 53316925 Buxus natalensis 23 μM [42, 43]
23 Buxaminol A 53324855 Buxus natalensis 29.8 ± 4.4 μM [43]
24 Skimmianine 6760 Zanthoxylum nitidum 74.09 ± 0.33 mg/mL [44, 45]
25 Harmaline 3564 Peganum harmala 8.4 μg/mL [46]
26 Harmine 5280953 Peganum harmala 10.9 μg/mL [46]
27 Isoimperatorin 68081 Ruta graveolens, angelica dahurica 74.6 μM [33, 47]
28 Xanthotoxin 4114 Ruta graveolens 5.4 × 10-5 M [47, 48]
29 Marmesin 334704 Ruta graveolens, angelica dahurica 13.3 mM [46, 49]
30. 1,8-cineole 2758 Inula graveolens 0.015 mg/mL [50]
31 Eugenol 3314 Inula graveolens 0.48 mg/mL [50]
32 α-terpineol 17100 Inula graveolens 1.3 mg/mL [50]
33 Apigenin 5280443 Sideritis cesarea 7.72 ± 0.15 μM [51, 52]
34 Linearol 497896 Sideritis congesta 2.66 μg/mL [52]
35 Sidol 194142985 Sideritis congesta 0.92 μg/mL [52]
36 Sideridiol 12315541 Sideritis congesta 8.04 μg/mL [52]
37 Sudachitin 12443122 Micromeria cilicica 65.2 ± 0.82 μg/mL [52]
38 Ursolic acid 64945 Nepeta sorgerae 39.19 μg/mL [52]
39 α-pinene 6654 Salvia potentillifolia 0.022 mg/mL [50, 52]
40 Liriodenine 10144 Beilschmiedia alloiophylla 3.5 ± 1.0 μM [53]
41 Secoboldine 10359075 Beilschmiedia alloiophylla 10.0 ± 0.6 μM [54]
42 Lauro-tetanine 31415 Beilschmiedia alloiophylla 3.2 ± 0.3 μM [55]
43 Asimilobine 160875 Beilschmiedia alloiophylla 8.7 ± 1.5 μM [53]
44 β-amyrone 12306160 Beilschmiedia alloiophylla 8.4 ± 2.0 μM [53]
45 Berberine 2353 Coptis chinensis, Berberis bealei and Phellodendron chinense 1.48 ± 0.07 mg/ml [54]
46 Coptisine 72322 Coptis chinensis, Berberis bealei and Phellodendron chinense 1.27 ± 0.06 mg/ml [54]
47 Palmatine 19009 Coptis chinensis, Berberis bealei and Phellodendron chinense 5.21 ± 0.48 mg/ml [54]
48 Luteolin 5280445 Thymus vulgaris 135 ± 0.18 μg/ml [26, 55]
49 Rutin 5280805 Micromeria cilicica, Fraxinus angustifolia 149.0 ± 6.6 μM [52, 56]
50 Kaempferol 5280863 Cleistocalyx operculatus 30.4 μM [57]
Positive control 1 Donepezil 3152 NA 6.7 nM [58]
Positive Control 2 Galantamine 9651 Galanthus woronowii 0.35 μmol/L [59]
  1. NA data not available