Table 3.

Interaction of MK2 protein (PDB: 3R2Y) with liquiritin, isoliquiritin, liquiritigenin and isoliquiritigenin using the molecular docking software AutoDock 4.0.

Compound	Binding Energy (kcal/mol)	Number of Hydrogen Bonds	Hydrogen Bonding	Inhibition Constant, Ki (μM)
Liquiritin	−7.65	3	LEU141, ASP207, LEU72	2.47
Isoliquiritin	−6.69	2	LEU141, ASP207	12.45
Liquiritigenin	−6.97	4	LYS93, LEU141, LEU72, GLU139	7.83
Isoliquiritigenin	−6.74	4	LEU141, GLU139, GLU145, ASN191	11.40