Molecular targets and mechanisms of Jiawei Jiaotai Pill on diabetic cardiomyopathy based on network pharmacology

Table 1 Thirty-four active components with therapeutic effect on diabetic cardiomyopathy in Jiawei Jiaotai pill

ID	Compounds	Wolecular weight	OB (%)	DL	TCM
MOL001454	Berberine	336.39	36.86	0.78	RC
MOL002894	Berberrubine	322.36	35.74	0.73	RC
MOL002897	Epiberberine	336.39	43.09	0.78	RC
MOL002903	(R)-Canadine	339.42	55.37	0.77	RC
MOL002904	Berlambine	351.38	36.68	0.82	RC
MOL002907	Corchoroside A_qt	404.55	104.95	0.78	RC
MOL000622	Magnograndiolide	266.37	63.71	0.19	RC
MOL000785	Palmatine	352.44	64.6	0.65	RC
MOL000098	Quercetin	302.25	46.43	0.28	RC/RA
MOL001458	Coptisine	320.34	30.67	0.86	RC
MOL002668	Worenine	334.37	45.83	0.87	RC
MOL000131	EIC	280.50	41.9	0.14	CM
MOL002003	(-)-Caryophyllene oxide	220.39	32.67	0.13	CM
MOL000057	DIBP	278.38	49.63	0.13	CM
MOL000675	Oleic acid	282.52	33.13	0.14	CM
MOL000211	Mairin	456.78	55.38	0.78	RA
MOL000239	Jaranol	314.31	50.87	0.29	RA
MOL000296	hederagenin	414.79	36.91	0.75	RA
MOL000033	(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R,5S)-5-propan-2-yloctan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	428.82	36.23	0.78	RA
MOL000354	isorhamnetin	316.28	49.6	0.31	RA
MOL000371	3,9-di-O-methylnissolin	314.36	53.74	0.48	RA
MOL000378	7-O-methylisomucronulatol	316.38	74.69	0.30	RA
MOL000379	9,10-dimethoxypterocarpan-3-O-β-D-glucoside	462.49	36.74	0.92	RA
MOL000380	(6aR,11aR)-9,10-dimethoxy-6a,11a-dihydro-6H-benzofurano[3,2-c]chromen-3-ol	300.33	64.26	0.42	RA
MOL000387	Bifendate	418.38	31.1	0.67	RA
MOL000392	formononetin	268.28	69.67	0.21	RA
MOL000417	Calycosin	284.28	47.75	0.24	RA
MOL000422	kaempferol	286.25	41.88	0.24	RA
MOL000433	FA	441.45	68.96	0.71	RA
MOL000439	isomucronulatol-7,2'-di-O-glucosiole	626.67	49.28	0.62	RA
MOL000442	1,7-Dihydroxy-3,9-dimethoxy pterocarpene	314.31	39.05	0.48	RA
MOL000392	formononetin	268.28	69.67	0.21	PLR
MOL000358	beta-sitosterol	414.79	36.91	0.75	PLR
MOL002959	3'-Methoxydaidzein	284.28	48.57	0.24	PLR
MOL003629	Daidzein-4,7-diglucoside	578.57	47.27	0.67	PLR

TCM: Traditional Chinese medicine; RC: Rhizoma Coptidis; CM: Cinnamon; RA: Radix Astragali; PLR: Puerariae Lobatae Radix.

Table 2 Information table of core active substances in Jiawei Jiaotai Pill

MOLID	Compound	Degree	Closeness	Betweenness
MOL000098	Quercetin	108	88.08	9136.98
MOL000392	Formononetin	48	69.17	2365.63
MOL000422	Kaempferol	31	71.83	1333.03
MOL000378	7-O-methylisomucronulatol	31	71.83	1309.63
MOL000354	Isorhamnetin	25	80	2758.62

Table 3 Key targets and component docking results

ID	Compounds	Minimum binding energy (kcal/mol)
		TNF	IL-6	TP53	EGFR	INS
MOL000098	Quercetin	-7.61	-6.88	-7.43	-6.14	-7.72
MOL000392	Formononetin	-6.56	-6.75	-6.12	-7.11	-6.21
MOL000422	Kaempferol	-6.7	-6.78	-6.19	-6.21	-14.8
MOL000378	7-O-methylisomucronulatol	-6.95	-6.68	-6.42	-5.98	-5.75
MOL000354	Isorhamnetin	-4.62	-4.56	-4.48	-4.27	-4.46

TNF: Tumor necrosis factor; IL-6: Interleukin 6; EGFR: Epidermal growth factor receptor; TP53: Cellular tumor antigen p53; INS: Insulin.