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基于网络药理学和分子对接探讨三七-骨碎补治疗股骨头坏死的作用机制
Exploration of the Mechanism of Sanqi(Notoginseng Radix Et Rhizoma)-Gusuibu(Drynariae Rhizoma) in the Treatment of Femoral Head Necrosis Based on Network Pharmacology and Molecular Docking
【摘要】 目的 基于网络药理学和分子对接探究“三七-骨碎补”药对治疗股骨头坏死的作用机制。方法 利用中药系统药理学数据库与分析平台(TCMSP)对“三七-骨碎补”药对的活性成分及成分靶点进行采集、筛选,通过CNKI、PubMed数据库对其进行补充,并利用UNIPORT数据库对靶点进行转换;通过GeneCards、TTD和OMIM数据库收集股骨头坏死的作用靶点,取得交集靶点后导入STRING数据库,生成PPI网络,并通过Cytoscape 3.9.0软件构建中药-活性成分-靶点网络;通过DAVID数据库对核心靶点进行GO功能富集分析与KEGG通路富集分析。结果 共得到“三七-骨碎补”药对的20个活性成分和229个潜在靶点,1386个股骨头坏死的靶点。GO富集分析主要包括炎症反应、凋亡过程、调节血管生成、与雌性激素响应等功能;KEGG富集分析主要包括脂质与动脉硬化、白细胞介素-17信号通路、类风湿性关节炎等信号通路。结论 “三七-骨碎补”药对治疗股骨头坏死具有成分多、靶点广、通路复杂的特点,可能通过IL6、TNF、TP53等靶点以及脂质代谢、白细胞介素-17等信号通路共同发挥治疗股骨头坏死的作用。
【Abstract】 Objective To explore the mechanism of“Sanqi(Notoginseng Radix Et Rhizoma)-Gusuibu(Drynariae Rhizoma)”in the treatment of necrosis of femoral head based on network pharmacology and molecular docking. Methods The active ingredients and component targets of“Sanqi(Notoginseng Radix Et Rhizoma)-Gusuibu(Drynariae Rhizoma)”were collected and screened using the Traditional Chinese Medicine Systematic Pharmacology Database and Analysis Platform(TCMSP),supplemented by CNKI and PubMed databases,and converted into targets using UNIPORT database. The targets of femoral head necrosis were collected through GeneCards,TTD and OMIM databases,and the intersecting targets were imported into STRING database to generate PPI network,and the Chinese herbal medicine-active ingredient-target network was constructed through Cytoscape 3.9.0 software;GO functional enrichment analysis and KEGG pathway enrichment analysis were performed on the core targets through DAVID database. Results A total of 20 active ingredients and 229 potential targets of“Sanqi(Notoginseng Radix Et Rhizoma)-Gusuibu(Drynariae Rhizoma)”were obtained,and 1386 targets of femoral head necrosis were identified. KEGG enrichment analysis mainly includes lipid and atherosclerosis,IL-17 signaling pathway,rheumatoid arthritis and other signaling pathways. Conclusion“Sanqi(Notoginseng Radix Et Rhizoma)-Gusuibu(Drynariae Rhizoma)”is characterized by multiple components,broad targets and complex pathways in the treatment of femoral head necrosis. It may play a role in the treatment of femoral head necrosis through IL6,TNF,TP53 and other targets as well as lipid metabolism and IL-17 and other signaling pathways.
【Key words】 network pharmacology; Sanqi(Notoginseng Radix Et Rhizoma); Gusuibu(Drynariae Rhizoma); osteonecrosis of the femoral head; molecular docking;
- 【文献出处】 辽宁中医药大学学报 ,Journal of Liaoning University of Traditional Chinese Medicine , 编辑部邮箱 ,2024年01期
- 【分类号】R285
- 【下载频次】275