Integrating Network Pharmacology and Experimental Models to Investigate the Mechanism of Huanglian Jiedu Decoction on Inflammatory Injury Induced by Cerebral Ischemia

Table 1

Docking information.

Docking with the COX-2			Docking with the 5-LOX
Molecule name	Gibbs free energy kJ/mol	Ki μmol/L	Molecule name	Gibbs free energy kJ/mol	Ki μmol/L
Acacetin	−7.34	4.14	Acacetin	−6.40	20.37
Baicalein	−5.11	179.50	Baicalein	−4.25	761.47
Berberine	−8.25	0.90	Berberine	−6.54	16.10
Beta-sitosterol	−7.91	1.60	Beta-sitosterol	−7.72	2.18
Campesterol	−8.63	0.47	Campesterol	−7.92	1.56
Cavidine	−9.43	0.12	Cavidine	−6.64	13.67
Chelerythrine	−8.67	0.44	Chelerythrine	−6.64	13.46
Coptisine	−8.25	0.90	Coptisine	−6.72	11.89
Crocetin	−7.30	4.48	Crocetin	−6.47	18.20
Epiberberine	−9.30	0.15	Epiberberine	−7.31	4.39
Isoimperatorin	−7.67	2.38	Isoimperatorin	−5.84	52.80
Kaempferol	−6.87	9.21	Kaempferol	−5.66	71.10
Obacunone	−7.70	2.28	Obacunone	−8.28	0.85
Oroxylin A	−7.07	6.61	Oroxylin A	−6.61	14.31
Palmatine	−7.38	3.87	Palmatine	−6.21	28.20
Quercetin	−7.05	6.76	Quercetin	−5.36	118.60
Rutaecarpine	−8.49	0.60	Rutaecarpine	−7.88	1.67
Sitosterol	−10.49	0.20	Sitosterol	−8.35	0.74
Skullcapflavone II	−5.60	79.05	Skullcapflavone II	−6.09	34.51
Stigmasterol	−9.45	0.12	Stigmasterol	−7.98	1.42
Wogonin	−7.23	5.00	Wogonin	−5.69	67.04
NS-398	−8.01	1.34	Aa-861	−7.86	1.72