Table 3.
Docking results scoring Garden cress oil identified phytoconstituents against TNF-α and Caspase-3 binding sites.
| TNF-α (PDB: 7JRA) | Caspase-3 (PDB: 3GJQ) | ||
|---|---|---|---|
| Ligand | Binding energy ΔG (kcal/mol) | Compound | Binding energy ΔG (kcal/mol) |
| Co-crystalized inhibitor | -12.89 | Co-crystalized inhibitor | -11.01 |
| β-Tocopherol | -10.73 | Linoleic acid | -10.05 |
| Erucic acid | -9.97 | Vaccenic acid | -7.48 |
| Sesamolin | -9.91 | Oleic acid | -7.45 |
| α-Tocopherol | -9.55 | Stearic acid | -6.93 |
| γ-Tocopherol | -9.52 | Palmitic acid | -6.89 |