Table 2.

Molecular docking.

Hub genes	PDB enter ID	PDB ligand ID	Grid box dimension (center x, y, z)	Grid box size (x, y, z) (Å)	Compound	Binding energy (kcal/mol)
TP53	5ab9	92O	123.753, 104.322, -48.223	40, 40, 40 Å	Formononetin	-5.5
VEGFA	5 t89	NAG	-97.543, 23.676, 28.708	40, 40, 40 Å	Ginsenoside F1	-5.0
EGFR	6hve	GUW	-6.005, 14.401, 12.146	40, 40, 40 Å	Calycosin	-0.8
EGFR	6hve	GUW	-4.681, 5.36, 28.573	40, 40, 40 Å	Formononetin	-6.8
TNF	6ooz	A6Y	-12.439, -1.289, 18.733	40, 40, 40 Å	Calycosin-7-glucoside	-4.5
ESR1	1x7r	GEN	15.587, 32.224, 22.304	40, 40, 40 Å	Calycosin	-7.6
ESR1	1x7r	GEN	15.587, 32.224, 22.304	40, 40, 40 Å	Formononetin	-7.8
STAT3	6njs	KQV	13.498, 54.118, 0.1	40, 40, 40 Å	Ginsenoside F1	-5.5
HSP90AA1	2xjx	XJX	14.101, -2.869, 5.072	40, 40, 40 Å	Ginsenoside F1	-6.6
AR	3gjh	GAP	15.362, 4.093, 26.691	40, 40, 40 Å	Calycosin	-7.8
AR	3gjh	GAP	15.362, 4.093, 26.691	40, 40, 40 Å	Formononetin	-7.5
AR	2piq	RB1	-36.156, -9.368, 219.779	40, 40, 40 Å	Calycosin-7-glucoside	0
AR	4oed	DHT	-27.579, 2.536, -4.738	40, 40, 40 Å	Ginsenoside Rg4	26.4
HDAC1-	5w5k	K70	-16.926, 31.012, 3.329	40, 40, 40 Å	Oxymatrine	-7.0
MMP9	2ovx	4MR	71.85, 12.27, 54.262	40, 40, 40 Å	Ginsenoside Rg4	-7.2
MMP9	2ovz	5MR	70.536, 17.075, 53.277	40, 40, 40 Å	Oxymatrine	-6.9