Bioactive Components and Potential Mechanism Prediction of Kui Jie Kang against Ulcerative Colitis via Systematic Pharmacology and UPLC-QE-MS Analysis

Table 3

Molecular docking of the main active ingredients of KJK and core proteins.

MOL ID	Core active ingredient	Binding energy/kcal.mol^−1
		AKT1	JUN	ESR1	AKTI	TNF
MOL000098	Quercetin	−9.56	−8.00	−7.97	−7.71	−4.82
MOL000006	Luteolin	−9.11	−7.67	−7.83	−7.62	−4.80
MOL000422	Kaempferol	−8.98	−7.49	−8.57	−7.79	−4.59
MOL000173	Wogonin	−9.08	−8.09	−7.96	−7.51	−4.65
MOL005828	Nobiletin	−8.44	−7.08	0.73	−6.71	−4.62