Table 1.
The inhibitory activity of extracts and fraction and molecular docking compounds 1–5 on sEH.
| Inhibitory activity at 50 μg/mL(%)a | I | IC50 value (μM)a | Inhibition type(Ki, μM) | Autodockscore(kcal/mol); Hydrogen bonds(Å) |
|
|---|---|---|---|---|---|
| a | 30.6 ± 2.5 | 1 | 8.9 ± 0.8 | Competitive (9.0 ± 0.8) | −10.96; Asp335(2.71), Ile363(3.03), Gln384(3.09) |
| b | 37.4 ± 1.2 | ||||
| c | 6.3 ± 1.8 | 2 | 18.3 ± 1.0 | Competitive (6.9 ± 0.7) | −11.20; Asp335(2.96), Tyr343(2.72), Ile363(2.83, 2.88), Pro371(2.76, 3.00) |
| d | 11.0 ± 6.0 | ||||
| e | 8.9 ± 2.0 | ||||
| f | 5.6 ± 1.9 | 3 | 8.3 ± 1.1 | Competitive (9.9 ± 0.8) | −10.69; Tyr343(2.71), Ile363(3.01), Pro371(2.71, 2.86) |
| g | 12.3 ± 2.8 | 4 | 3.2 ± 0.4 | Competitive (1.8 ± 0.4) | −8.48; Asp335(2.83), Leu408(2.87, 3.11) |
| h | >100 | 5 | 3.3 ± 0.3 | Competitive (1.5 ± 0.2) | −14.80; Asp335(2.59), Tyr383(2.81), Gln384(2.93), Ile363(2.98), Trp473(2.85), Met469(2.57) |
| i | 47.5 ± 2.5 | 6b | 24.1 ± 0.1 nM |
a: seed, b: hull, c: nut, d: Oil, e: cake, f: n-hexane fraction, g: Chloroform, h: ethyl acetate, i: water.
a
All compounds examined in a set of triplicated experiment.
b
Positive control(AUDA).