| 张鹏葛,王一瑞,宋玉霞,刘凯敏,高辉,周卫刚.分析中药治疗布鲁氏菌病的作用机制[J].中国药事,2022,36(3):330-340 |
| 分析中药治疗布鲁氏菌病的作用机制 |
| Study on Treatment Mechanisms of Traditional Chinese Medicine(TCM)for Brucellosis |
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| DOI：10.16153/j.1002-7777.2022.03.014 |
| 中文关键词: 布鲁氏菌病 中药 网络药理学 信号通路 作用机制 |
| 英文关键词: brucellosis traditional Chinese medicine (TCM) network pharmacology signaling pathways mechanisms of function |
| 基金项目:新疆维吾尔自治区重大科技专项[编号 2020A03004-1(c)]；新疆维吾尔自治区卫生健康青年医学科技人才专项科研项目(编号 WJWY- 202115) |
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| 中文摘要: |
| 目的：运用临床科研一体化模式，采用网络药理学技术分析中药对布鲁氏菌病的多成分、多靶点、多通路的治疗机制，为中药治疗布鲁氏菌病提供依据。方法：使用TCMSP数据库分析近30年治疗布鲁氏菌病的核心中药所包含的活性化合物，在Uniport和GeneCards数据库中匹配活性化合物的靶点基因，构建活性成分-靶点基因网络图。在STRING数据库中构建核心靶点PPI网络图，通过Metascape数据库分析GO功能和KEGG信号通路富集情况，绘制靶点基因-信号通路网络图；并利用Auto Dock Tool 分别对蛋白及小分子化合物进行加氢、加电荷等处理，利用Auto Dock Vina进行对接计算。结果：获得 310个中药化合物靶点基因与80个疾病靶点基因，得到核心靶点基因44个，富集在94条信号通路上，主要为IL-17 signaling pathway和Cytokine-cytokine receptor interaction信号通路，筛选出5个主要活性化合物均能与PTGS1、PTGS2和NCOA2等靶点蛋白结合，且结合能在-5.51kcal·mol-1~-7.96kcal·mol-1。结论：中药治疗布鲁氏菌病的主要活性成分为槲皮素、β-谷甾醇、山奈酚、豆甾醇和木犀草素等，其主要通过调节PTGS1、PTGS2、NCOA2、SCN5A、IL6、TNF、MMP9、TGFB1和MAPK14等靶点，调控 IL-17 signaling pathway、Cytokine-cytokine receptor interaction、TNF signaling pathway、Thermogenesis和 Osteoclast differentiation 等信号通路来抑制炎症、调节体温、改善骨关节、增强免疫、保护神经及肝脏达到治疗目的，为布鲁氏菌病的中药治疗提供参考依据。 |
| 英文摘要: |
| Objective： The integrated model of clinical research was applied to analyze the treatment mechanism of multi-component, multi-target and multi-signaling pathways of traditional Chinese medicine (TCM) for brucellosis by using network pharmacology technology in order to lay a basis for the treatment of brucellosis by using traditional Chinese medicine. Methods: TCMSP database was used to analyze the active components contained in the core herbs for the treatment of brucellosis in the past 30 years. The target genes of active compounds were matched in Uniport and GeneCards databases to found the active ingredients-target gene network chart. STRING database was used to establish PPI network chart of core targets. Go function and enrichment of the KEGG signaling pathway were analyzed via Metascape database, and the target gene-signaling pathway network chart was drawn. Auto Dock Tool was employed to prepare the structure for docking by adding hydrogen and charge to proteins and active compounds, respectively. Then docking calculation was performed by Auto Dock Vina. Results: 44 core target genes were acquired from 310 target genes of TCM components and 80 target genes of disease, which were enriched in 94 signaling pathways, mainly for signaling pathways of IL-17 and cytokine-cytokine receptor interaction. Five main active compounds were screened which could be bound to PTGS1, PTGS2, NCOA2, and the binding energy of 5 compounds was in the ranges from -5.51kcal·mol-1 to -7.96kcal·mol-1. Conclusion: The main active components of TCM treatment for Brucellosis are quercetin, β-sitosterol, kaempferol, Stigmasterol, luteolin etc. They could regulate signaling pathways of IL-17, Cytokine-cytokine receptor interaction, TNF signaling pathway, thermogenesis, Osteoclast differentiation, etc. by adjusting targets of PTGS1, PTGS2, NCOA2, SCN5A, IL6 etc. so as to inhibit inflammatory, regulate body temperature, improve bone and joint, enhance immunity, and protect nerve and liver. It could provide references for the TCM treatment of brucellosis. |
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