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. 2022 Jun 7;22(1):152.
doi: 10.1186/s12906-022-03622-0.

Network pharmacology and in vivo experiments reveal the pharmacological effects and molecular mechanisms of Simiao Powder in prevention and treatment for gout (V体育官网)

Affiliations

Network pharmacology and in vivo experiments reveal the pharmacological effects and molecular mechanisms of Simiao Powder in prevention and treatment for gout

Huachong Xu et al. BMC Complement Med Ther. .

Abstract

Background: Gout is a common disease with high incidence due to unhealthy diet and living habits. Simiao Powder, as a classic formula consisted of four common herbs, has been widely used in clinical practice since ancient times to prevent and treat gout. However, the pharmacological mechanism of Simiao Powder is still unclear VSports手机版. .

Methods: Based on network pharmacology, Simiao Powder active compounds were identified in TCMSP, ETCM and BATMAN database, used to establish a network of interaction between potential targets of Simiao Powder and known therapeutic targets of gout. Subsequently, the key potential targets are being used for protein-protein interaction, GO enrichment analysis and KEGG pathway enrichment analysis through several authoritative open databases V体育安卓版. Molecular docking through AutoDockTools software can verify interaction between molecules. Finally, to validate the predicted results, in vivo experiments based on hyperuricemic-gout mice model were designed and treated with Simiao powder and allopurinol. Serum levels of uric acid (UA), creatinine (Cr), blood urea nitrogen (BUN) and xanthine oxidase (XOD) were determined using a customized assay kit while the expression of PPAR-γ, PTGS1, IL-6 and Bcl2 mRNA were analyzed through qRT-PCR. .

Results: Disease-target-compound network was visualized basing on the 20 bioactive compounds and the 19 potential targets using Cytoscape software. The results of PPI analysis, GO enrichment and KEGG pathway enrichment analysis indicate that the potential mechanism of Simiao Powder in treating gout may be achieved by regulating immune and inflammatory reactions, improving metabolism and endocrine. The results of molecular docking show that most of the targets and components have good binding activity V体育ios版. In vivo experiments revealed that Simiao powder can decreased serum UA and XOD levels in hyperuricemic-gout mice, and improved renal function. Furthermore, Simiao powder certainly regulates the expression of PPAR-γ, PTGS1, IL-6 and Bcl2 mRNA in ankle tissue in hyperuricemic-gout mice. .

Conclusion: Collectively, this research predicted a multiple compounds, targets, and pathways model mechanism of Simiao Powder in the prevention and treatment of gout, providing new ideas and methods for in-depth research, via vivo experiments. VSports最新版本.

Keywords: Gout; Network pharmacology; Simiao Powder; Traditional Chinese medicine. V体育平台登录.

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Conflict of interest statement

The authors declare that they have no competing interests.

Figures

Fig. 1
Fig. 1
Workflow of the study design
Fig. 2
Fig. 2
Intersection targets of Simiao Powder and gout
Fig. 3
Fig. 3
Disease-Target-Compound Network of Simiao Powder and Gout. The orange, purple, green and cyan nodes represent the disease, targets, compounds and formula, respectively; the edges represent the interactions among them and nodes sizes are proportional to their degree
Fig. 4
Fig. 4
The PPI network of gout-related targets of Simiao Powder. Note: the circular nodes represent the interacting proteins that directly or indirectly interact with each other. The node size represents the importance of proteins, and the thickness of the line represents the closeness of the relationship between proteins
Fig. 5
Fig. 5
The annotation clustering result of GO enrichment analysis
Fig. 6
Fig. 6
Top 20 of GO enrichment terms of biological process and molecular function
Fig. 7
Fig. 7
Top 20 of KEGG pathways enrichment with Rich-Factor and Gene Percent
Fig. 8
Fig. 8
KEGG pathway annotation of gout-related targets of Simiao Powder
Fig. 9
Fig. 9
Compounds-Targets-pathways network for Simiao Powder acting on gout
Fig. 10
Fig. 10
Docking results for molecules with binding energy lower than -7 kcal/mol. Note: (a) the molecular docking result of PPARG and stigmasterol, the number of hydrogen bonds: 1, the binding energy: -7.72 kcal/mol; (b) the molecular docking result of PTGS1 and beta-sitosterol, the number of hydrogen bonds: 1, the binding energy: -7.01 kcal/mol
Fig. 11
Fig. 11
The effects of Simiao powder and allopurinol on serum levels of UA, XOD, BUN and Cr. (*P < 0.05, **P < 0.01, ***P < 0.001, ****P < 0.0001.)
Fig. 12
Fig. 12
The effects of Simiao powder and allopurinol on ankle mRNA levels of PPAR-γ, PTGS1, IL-6 and Bcl2. (*P < 0.05, **P < 0.01, ***P < 0.001, ****P < 0.0001.)
Fig. 13
Fig. 13
Potential pathways and therapeutic modules between Gout and Simiao Powder. Seven pathways (marked in different colors) constitute the compressed pathway

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