Network pharmacology-based strategy for predicting therapy targets of Sanqi and Huangjing in diabetes mellitus

Table 1 Eighteen active compounds in Sanqi and Huangjing and their corresponding predicted oral bioavailability and drug-likeness

Herb	MOL ID	Molecule name	OB (%)	DL
Sanqi	MOL001494	Mandenol	42.00	0.19
Sanqi/Huangjing	MOL001792	DFV	32.76	0.18
Sanqi	MOL002879	Diop	43.59	0.39
Sanqi/Huangjing	MOL000358	Beta-sitosterol	36.91	0.75
Sanqi	MOL000449	Stigmasterol	43.83	0.76
Sanqi	MOL005344	Ginsenoside rh2	36.32	0.56
Sanqi	MOL007475	Ginsenoside f2	36.43	0.25
Sanqi	MOL000098	Quercetin	46.43	0.28
Huangjing	MOL002714	Baicalein	33.52	0.21
Huangjing	MOL002959	3’-Methoxydaidzein	48.57	0.24
Huangjing	MOL000359	Sitosterol	36.91	0.75
Huangjing	MOL003889	Methylprotodioscin_qt	35.12	0.86
Huangjing	MOL004941	(2R)-7-hydroxy-2-(4-hydroxyphenyl) chroman-4-one	71.12	0.18
Huangjing	MOL000546	Diosgenin	80.88	0.81
Huangjing	MOL006331	4’,5-Dihydroxyflavone	48.55	0.19
Huangjing	MOL009760	Sibiricoside A_qt	35.26	0.86
Huangjing	MOL009763	(+)-Syringaresinol-O-beta-D-glucoside	43.35	0.77
Huangjing	MOL009766	Zhonghualiaoine 1	34.72	0.78

OB: Oral bioavailability; DL: Drug-likeness. Both OB ≥ 30% and DL ≥ 0.18 were obtained from TCMSP.

Table 2 Top 10 ingredients based on the network of ingredients

Rank	Name	Molecule name	Degree
1	MOL000098	Quercetin	97
2	MOL000358	Beta-sitosterol	42
3	MOL002714	Baicalein	23
4	MOL001792	DFV (5-deoxyflavanone)	16
5	MOL000449	Stigmasterol	13
6	MOL002959	3’-Methoxydaidzein	12
7	MOL000546	Diosgenin	11
8	MOL005344	Ginsenoside rh2	10
9	MOL004941	(2R)-7-hydroxy-2-(4-hydroxyphenyl) chroman-4-one	8
10	MOL006331	4’,5-Dihydroxyflavone	7

Table 3 Top 9 genes based on the network of ingredients and overlapping targets

Rank	Name	Degree
1	PTGS2	13
2	PTGS1	11
3	HSP90AA1	9
4	PIK3CG	8
5	ADRB2	8
6	SQ	7
7	CASP3	5
8	BAX	5
9	SLC6A4	5

Table 4 Kyoto encyclopedia of genes and genomes pathway analysis based on target-pathway network

Pathway ID	Pathway name	Count	P value	Gene name
05140	Leishmaniasis	9	5.61E-10	IL-10, IL-1A, TGFB1, NCF1, NOS2, STAT1, MAPK1, PTGS2, TNF
05200	Pathways in cancer	13	5.36E-08	GSK3B, TGFB1, NOS2, PRKCB, STAT1, MMP1, MMP2, PTGS2, CCND1, MYC, BCL2, MAPK1, PPARD
05161	Hepatitis B	8	2.75E-06	TGFB1, CCND1, STAT1, PRKCB, MYC, BCL2, MAPK1, TNF
05210	Colorectal cancer	6	7.16E-06	GSK3B, TGFB1, CCND1, MYC, BCL2, MAPK1
05145	Toxoplasmosis	7	7.75E-06	IL-10, TGFB1, NOS2, STAT1, BCL2, MAPK1, TNF
04919	Thyroid hormone signaling pathway	7	1.00E-05	GSK3B, CCND1, STAT1, PRKCB, MYC, MAPK1, ESR1
05152	Tuberculosis	8	1.03E-05	IL-10, IL-1A, TGFB1, NOS2, STAT1, BCL2, MAPK1, TNF
05133	Pertussis	6	1.83E-05	IL-10, IL-1A, NOS2, CASP1, MAPK1, TNF
05205	Proteoglycans in cancer	8	2.30E-05	TGFB1, CCND1, PRKCB, MYC, MMP2, MAPK1, ESR1, TNF
05146	Amoebiasis	6	9.76E-05	IL-10, TGFB1, NOS2, PRKCB, HSPB1, TNF
05164	Influenza A	7	1.05E-04	IL-1A, GSK3B, STAT1, PRKCB, CASP1, MAPK1, TNF
04380	Osteoclast differentiation	6	2.65E-04	IL-1A, TGFB1, NCF1, STAT1, MAPK1, TNF
04010	MAPK signaling pathway	7	7.91E-04	IL-1A, TGFB1, PRKCB, MYC, HSPB1, MAPK1, TNF