Table 3. Molecular docking results of 5 key genes with their corresponding compounds in Rhubarb-Coptis.

PDB ID	Key targets	Compounds	Binding energy (kcal/mol)
4JPS	PIK3CA	Quercetin	−9.2
4JPS	PIK3CA	Berberine	−8.9
4JPS	PIK3CA	Epiberberine	−8.5
4JPS	PIK3CA	Moupinamide	−8.5
4JPS	PIK3CA	EUPATIN	−8.0
6NJS	STAT3	Berberine	−7.5
1UOL	TP53	Berberine	−7.4
6NJS	STAT3	Epiberberine	−7.4
1UOL	TP53	Moupinamide	−6.9
6NJS	STAT3	EUPATIN	−6.8
1UOL	TP53	Epiberberine	−6.8
1JDH	CTNNB1	Quercetin	−6.6
1JDH	CTNNB1	Berberine	−6.6
1JDH	CTNNB1	EUPATIN	−6.6
1UOL	TP53	Quercetin	−6.5
1JDH	CTNNB1	Epiberberine	−6.5
6NJS	STAT3	Moupinamide	−6.4
1JDH	CTNNB1	Moupinamide	−6.3
1UOL	TP53	EUPATIN	−6.3
6NJS	STAT3	Quercetin	−6.2
5M6U	PIK3R1	Berberine	−6.1
5M6U	PIK3R1	Epiberberine	−6.1
5M6U	PIK3R1	Moupinamide	−6.1
5M6U	PIK3R1	Quercetin	−5.5
5M6U	PIK3R1	EUPATIN	−5.2

PDB, Protein Data Bank.