TABLE 3.
Molecular docking results for ligands bound to TNF-α receptor (2AZ5).
| Ligand | PubChem ID | Binding energy (kcal/mol) |
|---|---|---|
| 2AZ5 Inhibitor | −8.6 | |
| Compound 1 | 135645702 | −8 |
| Compound 2 | 951128 | −6.9 |
| Compound 3 | 753333 | −6.7 |
| Compound 4 | 555687 | −6.6 |
| Compound 5 | 536713 | −6.9 |
| Compound 6 | 18873897 | −8.2 |
| Compound 7 | 91723927 | −8 |
| Compound 8 | 91710979 | −7 |
| Compound 9 | 672041 | −6.6 |
The bold values indicate the lowest binding energy among all the docked complexes.