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. 2025 Feb 20;15:6178. doi: 10.1038/s41598-025-89550-8

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