Table 2.

Docking score and interactions of DAH and SOR against human CASP8 (target site PDB ID: 1I4E) and human MMP9 (target site PDB ID: 1GKC)

Ligands	Caspase 8 (target site PDB ID: 1I4E)			MMP9 (target site PDB ID: 1GKC)
	Binding free energy (kcal/mol)	pKi	Ligand efficiency (kcal/mol/non-H atom)	Binding free energy (kcal/mol)	pKi	Ligand efficiency (kcal/mol/non-H atom)
5‐Hydroxy‐7‐(4‐hydroxy‐3‐methoxyphenyl) ‐1‐phenylheptan‐3‐one	−6.3	4.62	0.2625	−7.6	5.57	0.3167
‐(4″‐Hydroxy‐3″‐methoxyphenyl) ‐1‐phenylhept‐4‐en‐3‐one	−6.5	4.77	0.2826	−7.1	5.21	0.3087
Sorafenib (SOR)	−8.1	5.94	0.2531	−9.8	7.19	0.3063