Table 3.
Binding indices of the eight phytochemicals with NOS3 analysed by molecular docking.
| Chemicals | Affinity (kcal/mol) | Cavity size | Center (x, y, z) | Size (x, y, z) |
|---|---|---|---|---|
| LU | −9.40 | 12459 | 17, 9, 40 | 35, 35, 35 |
| BA | −9.50 | 12459 | 17, 9, 40 | 35, 35, 35 |
| AN | −8.10 | 12459 | 17, 9, 40 | 35, 35, 35 |
| 6-SG | −7.70 | 12459 | 17, 9, 40 | 35, 35, 35 |
| CU | −9.00 | 12459 | 17, 9, 40 | 35, 35, 35 |
| HES | −10.20 | 12459 | 17, 9, 40 | 35, 35, 35 |
| TE | −10.30 | 12459 | 17, 9, 40 | 35, 35, 35 |
| GLY | −10.20 | 12459 | 17, 9, 40 | 35, 35, 35 |