Chinese Journal of Tissue Engineering Research ›› 2021, Vol. 25 ›› Issue (17): 2687-2696.doi: 10.3969/j.issn.2095-4344.3138

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An exploration on mechanism of Shengyu Decoction in treating osteonecrosis of the femoral head based on network pharmacology

Zhou Yi, Chen Yueping, Zhang Xiaoyun, Lai Yu, Liao Jianzhao, Li Shibin   

  1. Department of Traumatology and Hand Surgery, Ruikang Hospital Affiliated to Guangxi University of Chinese Medicine, Nanning 530011, Guangxi Zhuang Autonomous Region, China
  • Received:2020-05-06 Revised:2020-05-12 Accepted:2020-06-03 Online:2021-06-18 Published:2021-01-08
  • Contact: Chen Yueping, MD, Chief physician, Department of Traumatology and Hand Surgery, Ruikang Hospital Affiliated to Guangxi University of Chinese Medicine, Nanning 530011, Guangxi Zhuang Autonomous Region, China
  • About author:Zhou Yi, Master candidate, Department of Traumatology and Hand Surgery, Ruikang Hospital Affiliated to Guangxi University of Chinese Medicine, Nanning 530011, Guangxi Zhuang Autonomous Region, China
  • Supported by:
    the National Natural Science Foundation of China, No. 81760796 and 81960803 (both to CYP); Young Teachers’ Basic Ability Improvement Project of Guangxi Colleges and Universities, No. 2019KY0352 (to ZXY); 2019 School-level Scientific Research Project of Guangxi University of Chinese Medicine, No. 2019QN027 (to ZXY); Guangxi Natural Science Foundation, No. 2015GXNSFAA139136 (to CYP); First-class Subject Construction Open Project of Guangxi University of Chinese Medicine, No. 2019XK029 (to ZXY); Key Project of Guangxi Health Department, No. S201419-05 (to CYP); 2016 National Distinguished Chinese Physician-Huang Yourong Inheritance Studio Construction Project (to ZXY [project participant]); Guangxi University of Chinese Medicine Qihuang Engineering High-level Talents Cultivation Project-Traditional Chinese Medicine Master Wei Guikang's Academic Thought Inheritance and Innovation, No. 2018004 (to ZXY [project participant])

Abstract: BACKGROUND: Shengyu Decoction can be used to treat osteonecrosis of the femoral head (ONFH), but its mechanism is unknown.
OBJECTIVE: To explore the molecular mechanism of Shengyu Decoction in treating ONFH based on network pharmacology and molecular docking technology.
METHODS: The active components and corresponding targets of Shengyu Decoction was screened by TCMSP database. The related targets of ONFH were obtained by the query results of GEO chip, OMIM and Gene Cards databases. The potential targets of Shengyu Decoction in the treatment of ONFH were obtained by mapping intersection by Venny platform. The network of “single drug-active target-potential target” and protein-protein interaction network of Shengyu Decoction in the treatment of ONFH were constructed by Cytoscape software. The action targets of Shengyu Decoction were analyzed by David database through the gene ontology (GO) functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis. Autodock vina software was used to carry out molecular docking between key effective components and important targets, followed by the assessment of their binding activity.
RESULTS AND CONCLUSION: A total of 66 active ingredients and 196 targets of  Shengyu Decoction and 6 045 related targets of ONFH were screened out, and 73 intersected targets of Shengyu Decoction in the treatment of ONFH were obtained. The “single drug-active ingredient-target” network indicated that the main active ingredients were kaempferol, quercetin, β-sitosterol, stigmasterol, isorhamnetin, etc.  Protein-protein interaction analysis showed that the main core targets were interleukin-6, vascular endothelial growth factor A, matrix metalloproteinase-9, etc. The GO functional enrichment analysis yielded 804 entries (P < 0.01), mainly involving oxidative stress response, angiogenesis regulation, cell cycle regulation, immune response, inflammatory factors, etc. The KEGG pathway enrichment analysis obtained 120 pathways, mainly involving hypoxia-inducible factor-1α signaling pathway, interleukin-17 signaling pathway, tumor necrosis factor signaling pathway, nuclear factor-κB signaling pathway, Toll-like receptor signaling pathway and other pathways related to inflammatory response, angiogenesis and immune regulation. Molecular docking results showed that the binding energies of the five core target proteins and the five main active components were far less than the reference values, indicating that the main active components are stably bound to the core target receptor proteins. To conclude, Shengyu Decoction can participate in the regulation of immune-inflammatory responses, bone metabolism, angiogenesis, and oxidative stress through the active components such as kaempferol, quercetin, β-sitosterol, stigmasterol, and isorhamnetin, thereby playing a role in the treatment of ONFH.

Key words: bone, osteonecrosis of the femoral head, traditional Chinese medicine, molecular target, inflammation, bone metabolism, oxidative stress, network pharmacology

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