Table 5.
Sample | Compound | Docking score | Glide Emodel | Glide energy |
---|---|---|---|---|
EEMC | Crassifoside A | −5.35 | −59.52 | −47.16 |
Breviscaside A | −4.16 | −53.09 | −43.10 | |
Crassifogenin C | −5.34 | −53.21 | −41.99 | |
Crassifoside D | −5.26 | −55.67 | −45.15 | |
Curcapital | −4.75 | −39.26 | −30.77 | |
Isocurculigine | −5.73 | −70.01 | −55.83 | |
| ||||
METT | Cyclotricuspidoside A | −6.06 | −70.04 | −56.64 |
Cyclotricuspidoside C | −5.24 | −67.78 | −53.35 | |
Stigmast-7-en-3β-ol | −2.95 | −26.46 | −24.87 | |
α-Spinasterol | −4.26 | −32.43 | −25.42 | |
3-o-β-D-glucopyranoside | −2.74 | −33.84 | −30.30 | |
Glyceryl 1 palmitate | −3.02 | −36.58 | −33.96 | |
| ||||
MEAC | Stigmasterol | −3.37 | −26.59 | −22.17 |
Beta-sitosterol | −3.44 | −27.66 | −23.70 | |
Campesterol | −4.02 | −30.20 | −24.95 | |
1,3,5-Benzenetriol | −6.22 | −29.66 | −21.28 | |
Vitamin E acetate | −3.59 | −41.48 | −37.40 | |
Squalene | −2.40 | −32.13 | −31.20 | |
| ||||
Standard | Ascorbic acid | −4.52 | −32.91 | −25.72 |
Gallic acid | −5.07 | −34.53 | −26.13 | |
Quercetin | −5.15 | −44.42 | −34.35 |
EEMC: ethanol extract of M. capitulata; METT: methanol extract of T. tricuspidata; MEAC: methanol extract of A. campanulatus.