Exploring the Molecular Mechanism of the Antioxidant Activity of Medicine and Food Homology Licorice Flavonoids Based on Pharmacophore Theory and Quantum Calculations

Table 4

Molecular docking.

Compound	Protein	Libdock score	Binding energy (kcal/mol)	Ligand energy (kcal/mol)	Protein energy (kcal/mol)	Complex energy (kcal/mol)
Licochalcone B	TYR (PDB: 7RK7)	103.365	685.2052	105946.2090	−30790.3612	75841.0531
Retrochalcone	TYR (PDB: 7RK7)	96.883	310.2326	32.4111	−30790.3612	−30447.7174
Isoliquiritin	TYR (PDB: 7RK7)	109.651	141.9548	227.0134	−30790.3612	−30421.3930
Isoliquiritigenin	TYR (PDB: 7RK7)	108.897	−25.7910	48.6576	−3.790.3612	−30767.4946