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International Journal of Frontiers in Medicine, 2024, 6(11); doi: 10.25236/IJFM.2024.061101.

Network Pharmacology and Molecular Docking Study of the Chinese Miao Medicine LiuYueHuanYang in the Treatment of Osteoarthritis

Author(s)

Xinxin Yang1, Yan Wang1,2, Kaiwei Zhang1,2

Corresponding Author:
Kaiwei Zhang
Affiliation(s)

1Guizhou University of Traditional Chinese Medicine, Guiyang, China

2The First Affiliated Hospital of Guizhou University of Traditional Chinese Medicine, Guiyang, China

Abstract

To examine the potential therapeutic targets of the Chinese Miao medicine formula LiuYue HuanYang (LYHY) in the treatment of osteoarthritis (OA), we analyzed the active compounds of LYHY and the key targets of OA and investigated the interacting pathways using network pharmacological approaches and molecular docking analysis.Network pharmacology was adopted to detect four active components of  Hmong medicine LYHY. The key target in the important signal pathway and the main active component in LYHY were linked by molecular docking. In this study, we retrieved the four active ingredients of the Hmong medicine LYHY from the literature, namely kaempferol, arbutin, glucosyringic acid and guajavarin, and predicted the corresponding targets of the active ingredients by Swiss Target Prediction; and screened the targets related to OA by the databases GeneCard ( https://www.genecards.org/), Genemap ((https://www.omim.org/search/advanced/geneMap ), Drugbank (https://go.drugbank.com/about ) and OMIM (https://www.omim.org/) to screen the targets related to OA.The PPI network was then constructed and the results showed that AKT1, EGFR, MMP9, SRC, MMP2, ABCB1 and CYP19A1 were the key targets of LYHY for the treatment of OA.GO enrichment analysis showed that cellular response to lipids, cellular response to reactive oxygen species, and inflammatory response were closely related to the mechanism of June Redux for the treatment of OA; KEGG pathway analysis showed that EGFR tyrosine kinase inhibitor resistance,ErbB signaling pathway,ErbB signaling pathway,VEGF signaling pathway,Rap1 signaling pathway,Estrogen signaling pathway and Ras signaling pathway were associated with the intervention of LYHY in OA.Molecular docking showed that the active components had a good affinity with EGFR and SRC.

Keywords

Network pharmacology, LYHY, Osteoarthritis, Molecular docking, EGFR

Cite This Paper

Xinxin Yang, Yan Wang, Kaiwei Zhang. Network Pharmacology and Molecular Docking Study of the Chinese Miao Medicine LiuYueHuanYang in the Treatment of Osteoarthritis. International Journal of Frontiers in Medicine (2024), Vol. 6, Issue 11: 1-10. https://doi.org/10.25236/IJFM.2024.061101.

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