TABLE 1.

Docking scores between seven core components and their corresponding core targets.

Core target	PDB ID	GXSTC component	Affinity (kcal/mol)	Core target	PDB ID	GXSTC component	Affinity (kcal/mol)
RELA	6NV2	Original ligand	−6.4	JUN	1JNM	Tanshinone IIA	−6.1
		Tanshinone IIA	−7.3			Gallic acid	−5.4
		Cryptotanshinone	−7.1	CASP3	3H0E	Original ligand	−7.3
		Ellagic acid	−6.7			Ellagic acid	−7.3
		Rosmarinic acid	−6.6			Gallic acid	−4.8
		Danshensu	−5.3			Rosmarinic acid	−6.4
PTGS2	5KIR	Original ligand	−10.2			Tanshinone I	−7.2
		Tanshinone I	−9.3	MMP9	5CUH	Original ligand	−9.5
		Tanshinone IIA	−8.7			Tanshinone IIA	−10.3
		Cryptotanshinone	−8.3			Ellagic acid	−6.9
		Rosmarinic acid	−8.3	NFKBIA	1NFI	Tanshinone IIA	−6.4
		Danshensu	−6.8			Ellagic acid	−6.2
		Gallic acid	−6.1	TNF	2AZ5	Original ligand	−8.2
VEGFA	4QAF	Original ligand	−7.5			Cryptotanshinone	−9.2
		Tanshinone I	−10.1	BCL2	4IEH	Original ligand	−8.2
		Ellagic acid	−6.7			Tanshinone IIA	−8.0
NOS3	6PP4	Original ligand	−9.1	MAPK1	1TVO	Original ligand	−9.4
		Tanshinone I	−9.9			Rosmarinic acid	−7.9
		Ellagic acid	−7.7