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. 2023 Apr 25;2023:6359818. doi: 10.1155/2023/6359818

Table 4.

Molecular docking study of EEMC, METT, and MEAC against α-amylase (PDB ID: 3BAJ) for antidiabetic activity.

Sample Compound Docking score Glide Emodel Glide energy
EEMC Crassifoside A −6.03 −67.87 −50.98
Breviscaside A −6.06 −69.67 −54.05
Crassifogenin C −6.03 −67.87 −50.98
Crassifoside D −5.92 −65.15 −51.27
Curcapital −5.34 −51.50 −38.20
Isocurculigine −5.71 −76.74 −59.01

METT Cyclotricuspidoside A −7.19 −86.64 −60.86
Cyclotricuspidoside C −6.89 −87.29 −60.02
Stigmast-7-en-3β-ol −5.56 −50.89 −37.71
α-Spinasterol −6.18 −52.09 −37.94
3-o-β-D-glucopyranoside −5.26 −58.87 −50.47
Glyceryl 1 palmitate −5.06 −54.98 −45.95

MEAC Stigmasterol −6.08 −51.93 −37.41
β-sitosterol −6.06 −49.61 −49.61
Campesterol −5.89 −48.07 −35.58
1,3,5-Benzenetriol −5.25 −35.03 −25.74
Vitamin E acetate −4.43 −56.71 −47.62
Squalene −3.15 −47.09 −42.01

Standard Acarbose −7.37 −81.25 −59.51

EEMC: ethanol extract of M. capitulata; METT: methanol extract of T. tricuspidata; MEAC: methanol extract of A. campanulatus.