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. 2023 Feb 7;14:1127201. doi: 10.3389/fphar.2023.1127201

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.