Network pharmacology and molecular docking analysis on Taohong Siwu Decoction for rheumatoid arthritis and osteoarthritis based on the concept of “Treating Different Diseases with the Same Therapeutic Principle”

doi:10.12307/2022.601

Abstract

Abstract: BACKGROUND: Taohong Siwu Decoction has become one of the most widely used clinical prescriptions for promoting blood circulation and removing blood stasis in Chinese medicine, and it is also a typical prescription for treating different diseases with the same treatment. However, the chemical components of traditional Chinese medicine compounds are complex, and the clinical efficacy is manifested by the synergy of its multiple components, multiple targets, and multiple pathways. The integrality, systemicity, and emphasis on drug interactions of network pharmacology are similar to the basic characteristics of traditional Chinese medicine. The use of network pharmacology and bioinformatics to explain the relationship between the classic prescription and the possible potential component-target-pathway-disease of the disease is a key issue that needs to be explored in the modern application of the prescription.
OBJECTIVE: To explore the molecular mechanism of Taohong Siwu Decoction in the treatment of rheumatoid arthritis and osteoarthritis based on the idea of “Treating Different Diseases with the Same Therapeutic Principle” by using network pharmacology, bioinformatics, and molecular docking methods.
METHODS: The GEO database was used to screen the targets that interact with rheumatoid arthritis and osteoarthritis. Cytoscape was used to visualize the compound-target network. The DAVID database was used for GO and KEGG enrichment analysis, and the core targets were molecularly docked.
RESULTS AND CONCLUSION: Totally 44 effective compounds were screened; 201 targets related to rheumatoid arthritis and osteoarthritis. GO and KEGG analyses were mainly related to AGE-RAGE, MAPK, and IL-17 signaling pathways. The molecular docking verification experiment demonstrated that Taohong Siwu Decoction is mainly used to treat rheumatoid arthritis and osteoarthritis through effective compounds, such as hederin, paeoniflorin, β-carotene, and stigmasterol. It is concluded that Taohong Siwu Decoction treats rheumatoid arthritis and osteoarthritis through IL-17 signaling pathway, AGEs/AGE-RAGE signaling pathway, TNF signaling pathway, MAPK signaling pathway, and Toll-like receptor signaling pathway to promote the balance between pro-apoptotic and anti-apoptotic signals, reduces the secretion of inflammatory cytokines, thereby delaying or improving the degeneration of bone and articular cartilage, which provides new ideas and new methods for the study regarding the mechanism of action of Taohong Siwu Decoction in the treatment of rheumatoid arthritis and osteoarthritis.

Key words: rheumatoid arthritis, osteoarthritis, Taohong Siwu Decoction, network pharmacology, molecular docking, mechanism of action

CLC Number:

Wang Xinyuan, Huang Xiabing, Li Juan, Deng Xin. Network pharmacology and molecular docking analysis on Taohong Siwu Decoction for rheumatoid arthritis and osteoarthritis based on the concept of “Treating Different Diseases with the Same Therapeutic Principle”[J]. Chinese Journal of Tissue Engineering Research, 2022, 26(15): 2419-2425.

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