Pueraria lobata Potentially Treating Prostate Cancer on Single-Cell Level by Network Pharmacology and AutoDock: Clinical Findings and Drug Targets

Table 2

Molecular docking results.

Active ingredients	Target protein	Docking score/binding energy	RMSD
3-Methoxydaidzein	MAOA	-8.3	0.888
3-Methoxydaidzein	MIF	-6.3	0.432
3-Methoxydaidzein	AR	-5.4	0.371
3-Methoxydaidzein	HSB90B1	-7.2	0.001
Formononetin	MAOA	-8.1	<0.001
Formononetin	MIF	-5.8	<0.001
Formononetin	AR	-10.8	<0.001
Daidzein-4,7-diglucoside	MAOA	-10.5	3.131
Daidzein-4,7-diglucoside	MIF	-5.8	1.273
Beta-sitosterol	AR	-9.2	0.222

Note: docking score/ kcal/mol means weak binding capacity, / means moderate binding capacity, and docking score/ means strong binding ability. A smaller value of RMSD indicates a higher spatial overlap between the active monomer and the best bound conformation; that is, a smaller value means a higher chance of successful docking.