In vitro anti‐bacterial activity and network pharmacology analysis of Sanguisorba officinalis L. against Helicobacter pylori infection

Table 6 Molecular docking information of the active ingredients and the core targets

NO.	Gene ID	Protein ID	Active ingredients^b	PubChem CID	Binding energy^c (kcal/mol)	Binding energy _{active ingredients − ligand} (kcal/mol)
1	AKT1	3O96	AKT1_ligand	–	− 11.85	–
2	AKT1	3O96	3,7,8-Tri-O-methylellagic acid	5,281,860	− 8.09	3.66
3	EGFR	4WKQ	EGFR_ligand	–	− 7.88	–
4	EGFR	4WKQ	Beta-sitosterol	222,284	− 9.49	− 1.69
5	EGFR	4WKQ	3,7,8-Tri-O-methylellagic acid	5,281,860	− 7.06	0.82
6	SRC	4MXO	SRC_ligand	–	− 7.49	–
7	SRC	4MXO	Mairin	64,971	− 7.00	0.49
8	SRC	4MXO	Beta-sitosterol	222,284	− 8.85	1.36
9	SRC	4MXO	Kaempferol	5,280,863	− 6.78	0.71
10	SRC	4MXO	Methyl-2,3,6-tri-O-galloyl-β-d-glucopyranoside	78,407,221	− 5.27	2.22
11	SRC	4MXO	3,7,8-Tri-O-methylellagic acid	5,281,860	− 6.16	1.33
12	SRC	4MXO	Methyl-6-O-galloyl-β-d-glucopyranoside	78,385,296	− 5.72	1.77
13	SRC	4MXO	Quercetin	5,280,343	− 7.18	0.31
14	SRC	4MXO	Ellagic acid	5,281,855	− 8.55	− 1.06

^aThe protein analysis method is X-RAY DIFFRACTION; ^bIn this column, “ligand” refers to a small molecule compound bound in the crystal structure of the original protein, usually as an inhibitor or activator of the protein; ^cThe value of Binding energy is generally negative, the lower the value, the more stable the complex formed by the small molecule ligand and the protein

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