Table 3.
The binding energy of molecular docking between the bioactive components and the core predicted targets.
| Ligand | Proteins | Affinity | Dist from best mode | |
|---|---|---|---|---|
| (kcal/mol) | rmsd l.b | rmsd u.b | ||
| Ohioensin-A | AR | 4.5 | 0.000 | 0.000 |
| ESR1 | − 4.7 | 0.000 | 0.000 | |
| MAPK3 | − 6.2 | 0.000 | 0.000 | |
| AKT1 | − 9.9 | 0.000 | 0.000 | |
| GAPDH | − 8.3 | 0.000 | 0.000 | |
| Quercetin | AR | − 8.0 | 0.000 | 0.000 |
| ESR1 | − 6.9 | 0.000 | 0.000 | |
| MAPK3 | − 5.3 | 0.000 | 0.000 | |
| AKT1 | − 7.7 | 0.000 | 0.000 | |
| GAPDH | − 6.5 | 0.000 | 0.000 | |
| Beta-sitosterol | AR | − 0.4 | 0.000 | 0.000 |
| ESR1 | − 4.5 | 0.000 | 0.000 | |
| MAPK3 | − 5.4 | 0.000 | 0.000 | |
| AKT1 | − 9.8 | 0.000 | 0.000 | |
| GAPDH | − 7.8 | 0.000 | 0.000 | |
| Sitosterol | AR | − 1.2 | 0.000 | 0.000 |
| ESR1 | − 4.6 | 0.000 | 0.000 | |
| MAPK3 | − 5.7 | 0.000 | 0.000 | |
| AKT1 | − 9.6 | 0.000 | 0.000 | |
| GAPDH | − 7.2 | 0.000 | 0.000 | |