基于网络药理学探讨仙鹤草治疗慢性疲劳综合征作用机制  

Network Pharmacological Study on Mechanism of Agrimoniae Herba in Treating Chronic Fatigue Syndrome

作　　者：鲁昕怡 马重阳 王佳佳[2] 张玉雯 迟莉[2] LU Xinyi;MA Chongyang;WANG Jiajia;Zhang Yuwen;CHI Li(Faculty of Environment and Life,Beijing University of Technology,Beijing 100124,China;School of Traditional Chinese Medicine,Capital Medical University,Beijing 100069,China)

机构地区：[1]北京工业大学环境与生命学部,北京100124 [2]首都医科大学中医药学院,北京100069

出　　处：《中国中医药图书情报杂志》2024年第4期47-53,共7页Chinese Journal of Library and Information Science for Traditional Chinese Medicine

基　　金：国家自然科学基金(82004327、82104765)。

摘　　要：目的 采用网络药理学方法研究仙鹤草治疗慢性疲劳综合征潜在作用机制。方法 通过SymMap、HERB数据库获取仙鹤草化学成分和潜在靶点,通过DisGeNET数据库获取慢性疲劳综合征疾病靶点,将化学成分对应靶点与疾病相关靶点去重后获得交集靶点,采用Cytoscape3.9.1软件绘制仙鹤草-化学成分-交集靶点网络,采用STRING数据库并结合Cytoscape3.9.1软件绘制交集靶点相互作用图,DAVID数据库进行GO功能和KEGG通路富集分析,采用CB-Dock平台对关键成分及核心靶点进行分子对接。结果 获得仙鹤草化学成分21个,潜在靶点360个,慢性疲劳综合征相关靶点118个,仙鹤草和慢性疲劳综合征交集靶点22个。GO功能和KEGG通路富集分析显示,仙鹤草调节慢性疲劳综合征涉及181个生物过程、9个细胞组分、10个分子功能及58条信号通路。分子对接结果表明,槲皮素、蛇床子素、木犀草素、β-谷甾醇与核心靶点IL1B、IL6、TNF、PTGS2有一定结合力。结论 仙鹤草抗慢性疲劳综合征可能通过蛇床子素、β-谷甾醇、山柰酚、槲皮素、木犀草素等成分,作用于IL1B、IL6、TNF等靶点,作用机制有调节炎症及免疫反应、改善肠道免疫网络及作用于糖尿病和癌症相关通路等。Objective To explore the potential mechanism of Agrimoniae Herba in the treatment of chronic fatigue syndrome using network pharmacology methods.Methods The chemical components and potential targets of Agrimoniae Herba were obtained through SymMap and HERB databases.Chronic fatigue syndrome disease targets were obtained through the DisGeNET database,and intersection targets were obtained by deduplicating the chemical components corresponding to the targets and disease-related targets.Cytoscape 3.9.1 software was used to draw the chemical components of Agrimoniae Herba-intersection target network.STRING database and Cytoscape 3.9.1software were used to draw intersection targets protein-protein interaction diagrams.David database was used for GO analysis and KEGG pathway analysis.CB-Dock platform was used for molecular docking of key components and core targets.Results Total 21 components and 360 potential targets of Agrimoniae Herba and 118 targets related to chronic fatigue syndrome were obtained.There were 22 intersection targets of Agrimoniae Herba and chronic fatigue syndrome.GO and KEGG analysis showed that 181 biological processes,9 cell components,10 molecular functions and 58 signaling pathways were involved in the main targets of the chronic fatigue syndrome.Molecular docking results showed that quercetin,osthenodin,luteolin,β-sitosterol may have a certain binding force with IL1B,IL6,TNF,PTGS2 target.Conclusion Agrimoniae Herba for the treatment of chronic fatigue syndrome can act the targets of IL1B,IL6,TNF,etc.,through osthenodin,β-sitosterol,kaempferol,quercetin,rhinoceros,etc.The possible mechanisms include regulating inflammation and immune response,improving intestinal immune network,and acting on diabetes and cancer related pathways.

关 键 词：仙鹤草 慢性疲劳综合征 网络药理学 分子对接 

分 类 号：R285.5[医药卫生—中药学]