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

Sarkar, Bishajit; Alam, Sayka; Rajib, Tiluttoma Khan; Islam, Syed Sajidul; Araf, Yusha; Ullah, Md. Asad

doi:10.1186/s43042-020-00127-8

Egyptian Journal of Medical Human Genetics

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]

NA data not available

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