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  4. Vol 4, Issue 5, 2022

Based on Network Pharmacology and Molecular Docking, Explore the Molecular Mechanism of Modified Xiao-xian-xiong Decoction in the Treatment of T2DM

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DOI: 10.23977/medcm.2022.040508 | Downloads: 6 | Views: 418

Author(s)

Sen Ha 1, Ying Chen 2, Pengju Liu 1, Weizhe Sun 1, Jing Guan 2, Shuang Jiang 1,2

Affiliation(s)

1 School of Health Management, Changchun University of Chinese Medicine, Boshuo Road, Changchun, China
2 School of Clinical Medicine, Changchun University of Chinese Medicine, Boshuo Road, Changchun, China

Corresponding Author

Jing Guan

ABSTRACT

Objective: Based on network pharmacology and molecular docking, explore the mechanism of Modified Xiao-Xian-Xiong Decoction (MXD) formula in treating type 2 diabetes (T2DM). Methods: Using the traditional Chinese medicine system pharmacology technology platform (TCMSP) to select the main active ingredients of rhubarb, coptis, pinellia and trichosanthis and its corresponding action targets; the relevant target genes in the Gene Cards database for T2DM, Mapping the drug active component targets to the T2DM targets; use R language to draw the Wayne diagram of small breast soup with flavor applied on T2DM; Cystoscope 3.8.2 Visual mapping software can be used to construct a network model of "drug active ingredient-target"; meanwhile, intersection target protein interaction network (PPI) using STRING database, the key proteins were selected; again, the gene ontology GO enrichment analysis and the Kyoto Encyclopedia of Genes and Genome (KEGG) pathway enrichment analysis were performed in the R language. Finally, molecular docking was performed to further verify the efficient binding of the selected compounds to the core target. Results: 54 active components of the flavor formula acting on T2DM were selected after selection; GO analysis shows that the biological function of Xiaoxianxiong Decoction in treating T2DM potential genes mainly involves transcriptional regulation, oxidative stress, protein binding and inflammatory reaction; the enrichment of KEGG pathway shows that the pathways affected by Xiaoxianxiong Decoction Jiawei Recipe in treating T2DM mainly include tumor necrosis factor (TNF) signal pathway, phosphatidylinositol oxygen 3 kinase/protein kinase B (PI3K/Akt) signal pathway, calcium ion signal pathway and nuclear transcription factor-κB( NF-кB) Signal path, etc. Molecular docking results showed that the core compounds such as quercetin, rheate, berberine, and baicalein had a strong affinity with the T2DM core genes. Conclusion: The mechanism of Xiaoxianxiong Decoction in treating T2DM may be to inhibit the secretion of inflammatory factors, participate in anti-inflammatory reaction, reduce oxidative stress, and activate PI3K /Akt /NF-кB and other signal pathways to participate in anti-inflammatory and antioxidant reactions, improve insulin resistance, and increase insulin sensitivity and reduce blood glucose.

KEYWORDS

T2DM, Network pharmacology, Molecular docking, Modified Xiao-Xian-Xiong Decoction

CITE THIS PAPER

Sen Ha, Ying Chen, Pengju Liu, Weizhe Sun, Jing Guan, Shuang Jiang, Based on Network Pharmacology and Molecular Docking, Explore the Molecular Mechanism of Modified Xiao-xian-xiong Decoction in the Treatment of T2DM. MEDS Chinese Medicine (2022) Vol. 4: 53-63. DOI: http://dx.doi.org/10.23977/medcm.2022.040508.

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