Exploration of potential mechanisms of Shuganning injection for non-alcoholic fatty liver disease through network pharmacology and molecular docking_West China Medical Journal

Authors：

 LU Cuncun ¹ , WANG Haibo ² , KE Lixin ³ ,  ZHANG Qiang ⁴

1. Institute of Basic Research in Clinical Medicine, China Academy of Chinese Medical Sciences, Beijing 100700, P. R. China;
2. Department of Critical Care Medicine, Affiliated Hospital of Gansu University of Chinese Medicine, Lanzhou, Gansu 730000, P. R. China;
3. Department of Pediatrics, Medical Center of University of Groningen, Groningen 9713GZ, Netherlands;
4. Department of Gastroenterology, the First Affiliated Hospital of Henan University of CM, Zhengzhou, Henan 450000, P. R. China;

Corresponding author：

LU Cuncun, Email: lu17metrics@163.com; ZHANG Qiang, Email: zhangqiangq7@126.com

Keywords：

Network pharmacology; molecular docking; Shuganning injection; baicalin; action mechanism

DOI：

10.7507/1002-0179.202406206

Video：

Export PDF Favorites Scan Get Citation

Abstract Full text Figures/Tables Video References Cited by

Objective To explore the potential mechanism of Shuganning injection for non-alcoholic fatty liver disease (NAFLD) through network pharmacology and molecular docking techniques. Methods Information on the active compounds of Shuganning injection and their target proteins, as well as disease-related targets of NAFLD, were collected from multiple public databases from May 23rd to 28th, 2024, for protein interaction network analysis and pathway enrichment analysis. A multi-level network of “herb-compound-target-disease” of Shuganning injection for NAFLD was constructed. Molecular docking was performed on the top 5 key active compounds ranked in the degree centrality of the “core target-active compound” network and the core action targets. Results Finally, 140 active compounds of Shuganning injection and 486 potential targets, 1058 NAFLD-related targets, 154 common targets for NAFLD and Shuganning injection were obtained. Topological analysis of the common target protein interaction network identified 16 key target proteins of protein kinase B1, peroxisome proliferator-activated receptor alpha, peroxisome proliferator-activated receptor gamma, sterol regulatory element-binding protein 1, interleukin-6, and matrix metalloproteinase-9, etc. The gene ontology enrichment analysis showed that their genes were involved in 179 biological processes, 13 cellular components, and 48 molecular functions. The Kyoto Encyclopedia of Genes and Genomes enrichment analysis showed that their genes were involved in 99 pathways of cancer, lipid and atherosclerosis, NAFLD and insulin resistance, etc. The constructed multi-level network of “herb-compound-target-disease” consisted of 102 nodes and 208 edges. The molecular docking results showed that the 5 key active compounds of baicalin, acacetin, sitosterol, β-sitosterol, and ganoderic acid A had high affinity for the core target proteins. Conclusion Shuganning injection may exert therapeutic effects on NAFLD through active compounds like baicalin, acacetin, sitosterol, β-sitosterol and ganoderic acid A, acting on key target proteins such as protein kinase B1, peroxisome proliferator-activated receptor alpha, peroxisome proliferator-activated receptor gamma, sterol regulatory element-binding protein 1, interleukin-6, and matrix metalloproteinase-9, regulating pathways related to lipids and atherosclerosis, NAFLD, and insulin resistance.

Citation： LU Cuncun, WANG Haibo, KE Lixin, ZHANG Qiang. Exploration of potential mechanisms of Shuganning injection for non-alcoholic fatty liver disease through network pharmacology and molecular docking. West China Medical Journal, 2024, 39(12): 1911-1916. doi: 10.7507/1002-0179.202406206 Copy

1.
2.
3.
4.
5.
6.
7.
8.
9.
10.
11.
12.
13.
14.
15.
16.
17.
18.
19.
20.
21.
22.
23.
24.
25.
26.
27.
28.
29.
30.
31.	Kuang J, Wang J, Li Y, et al. Hyodeoxycholic acid alleviates non-alcoholic fatty liver disease through modulating the gut-liver axis. Cell Metab, 2023, 35(10): 1752-1766.e8.
32.
33.
34.
35.
36.

1.
2.
3.
4.
5.
6.
7.
8.
9.
10.
11.
12.
13.
14.
15.
16.
17.
18.
19.
20.
21.
22.
23.
24.
25.
26.
27.
28.
29.
30.
31. Kuang J, Wang J, Li Y, et al. Hyodeoxycholic acid alleviates non-alcoholic fatty liver disease through modulating the gut-liver axis. Cell Metab, 2023, 35(10): 1752-1766.e8.
32.
33.
34.
35.
36.

West China Medical Journal

Exploration of potential mechanisms of Shuganning injection for non-alcoholic fatty liver disease through network pharmacology and molecular docking

Abstract Full text Figures/Tables Video References Cited by

Previous Article

Next Article

Format

Content