The System Research of the Molecular Mechanism of Quyushengxin Capsule in the Treatment of Osteonecrosis of the Femoral Head

Table 2

The docking energy results of the complex between some key compounds and targets for QYSXC in treatment with ONFH.

Protein name	Gene name	PDB ID	Ligand name	Binding energy (kcal/mol)
Prostaglandin G/H synthase 2	PTGS2	5IKR	Quercetin	−5.28
			Kaempferol	−6.03
			Linoleic acid	−6.55
			2-Methyl-N-phenylmaleimide	−6.65
Prostaglandin G/H synthase 1	PTGS1	6Y3C	Quercetin	−4.95
			Kaempferol	−5.53
			Linoleic acid	−6.15
			2-Methyl-N-phenylmaleimide	−6.51
Nitric oxide synthase, endothelial	NOS3	1M9R	Quercetin	−5.88
			Kaempferol	−6.46
			Linoleic acid	−6.45
			2-Methyl-N-phenylmaleimide	−7.04