基于网络药理学的桑白皮治疗2型糖尿病的作用机制

doi:10.3976/j.issn.1002-4026.2023.01.006

Abstract

Abstract:

To explore the potential mechanism of Mori Cortex in the treatment of type 2 diabetes mellitus (T2DM) using network pharmacology and molecular docking methods. The active ingredients and predicted targets of Mori Cortex were screened using the traditional Chinese medicine systems pharmacology database and analysis platform. T2DM targets were retrieved from the DrugBank, GeneCards, and TTD databases.Then, the components-target network diagram of Mori Cortex and the protein-protein interaction(PPI)network of intersection targets were constructed. Gene ontology (GO) enrichment analysis and Kyoto encyclopedia of genes and genomes (KEGG) enrichment analysis were performed. Finally, active ingredients and key targets were selected, and AutoDock software was used for molecular docking.The 25 active ingredients and 126 intersection targets of Mori Cortex and disease were predicted. The PPI network revealed that AKT1, IL-6, TNF, VEGFA, TP53, and CASP3 may be the key targets of Mori Cortex in the treatment of T2DM.The GO enrichment analysis included biological processes such as the cytokine signal transduction pathway, response to lipids, and the apoptosis signal pathway.The KEGG pathway enrichment analysis included the AGE-RAGE, IL-17, TNF, and PI3K-Akt signaling pathways. The results of molecular bonding showed that quercetin, kahenol, β-sitosterol, iristectorigeni B, and glabrone had good binding activities with AKT1, IL-6, VEGFA, and CASP3.The binding energy of quercetin with AKT1 was the lowest and that of glabrone with IL-6, VEGFA and CASP3 was the lowest.This study preliminarily explored the active ingredients, potential targets, biological processes, and signaling pathways of Mori Cortex in the treatment of T2DM, providing a scientific basis for its clinical application.

Key words: Mori Cortex, type 2 diabetes, network pharmacology, molecular docking technology, mechanism

CLC Number:

R285

LI Yan, LI Ziwen, LI Limin, WANG Mengxia, ZHANG Peng, WU Zhengzhi. Exploring the mechanism of Mori Cortex in the treatment of type 2 diabetes mellitus based on network pharmacology[J].Shandong Science, 2023, 36(1): 41-50.

Figures/Tables 7

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References 34

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编号	MOL ID	英文名称	中文名称	OB/%	DL	靶点数目
S16	MOL003857	Moracin C	桑辛素 C	82.13	0.29	6
S14	MOL003758	Iristectorigenin (9CI)	鸢尾甲黄素B	71.55	0.34	21
S07	MOL012735	mulberroside C_qt	桑皮苷C	71.39	0.46	5
S10	MOL012760	sanggenone M	桑根酮M	68.29	0.85	6
S05	MOL012714	Moracin A	桑辛素 A	64.39	0.23	2
S23	MOL002514	Sexangularetin	8-甲氧基莰非醇	62.86	0.3	9
S08	MOL012753	sanggenone F	桑根酮F	62.42	0.54	17
S06	MOL012719	moracin O	桑辛素 O	62.33	0.44	3
S17	MOL003858	Moracin D	桑辛素 D	60.93	0.38	14
S22	MOL012800	3,5,7-trihydroxy-2-(3-hydroxyphenyl)chromone	—	59.71	0.24	10

靶点	对接能量/ (kJ·mol^-1)
靶点	槲皮素	山奈酚	β-谷甾醇	鸢尾甲黄素B	光果甘草酮
AKT1	-40.58	-23.43	-25.10	-26.36	-27.61
IL-6	-30.54	-30.12	-29.71	-28.45	-31.80
VEGFA	-23.85	-28.03	-27.20	-25.10	-29.71
CASP3	-32.64	-31.80	-33.05	-30.96	-35.15

Exploring the mechanism of Mori Cortex in the treatment of type 2 diabetes mellitus based on network pharmacology

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编号	靶点	度值	Uniprot ID
1	AKT1	96	P31749
2	IL-6	94	P05231
3	TNF	89	P01375
4	VEGFA	88	P15692
5	TP53	86	P04637
6	CASP3	83	P42574
7	JUN	79	P05412
8	MAPK1	78	P28482
9	EGF	77	P01133
10	MMP9	77	P14780

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