Table 1.

The binding energies of the optimal docking models.

Compounds	Target proteins	Binding energy	Cluster RMSD	Reference RMSD
Astragaloside II	ALB	−12.27	0.00	12.30
Neocryptotanshinone II	APOA1	−6.80	0.00	111.46
Neocryptotanshinone II	CYP1A1	−9.50	0.00	45.40
Neocryptotanshinone II	CYP1A2	−9.28	0.00	35.30
Neocryptotanshinone II	IL-6	−7.45	0.00	92.33
Neocryptotanshinone II	NFKB1	−7.15	0.00	14.42
Neocryptotanshinone II	TNF	−9.53	0.00	23.12