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作 者:杨亮亮[1,2] 刘清泉 Yang Liangliang;Liu Qingquan(Beijing University of Chinese Medicine,Beijing 100029,China)
机构地区:[1]北京中医药大学,北京100029 [2]首都医科大学附属北京中医医院,北京100010 [3]北京市中医研究所,北京100010
出 处:《中国中医急症》2022年第7期1144-1148,1160,共6页Journal of Emergency in Traditional Chinese Medicine
基 金:首都卫生发展科研专项项目(首发2018-1-1161);“十三五”科技重大专项(2017ZX10305501)
摘 要:目的 通过网络药理学预测了芪归银方治疗脓毒症的主要活性成分、靶标和信息通路,探讨其潜在生物学机理。方法 利用TCMSP数据库系统搜索芪归银方的主要中药化学成分,以OB≥30%和DL≥0.18为条件检测其中的主要活性物质;利用Swiss Target Prediction数据库检索主要活性物质及其对应的靶点;利用TTD数据库系统、Drug bank数据库系统和DisGeNET数据库系统对疾病靶点做出预测。使用Excel软件查询主要活性成分靶位及其与疾病治疗靶点之间的交叉靶点;通过Cytoscape3.7.2应用软件构建药品活性成分-靶位蛋白质相互作用网络;再通过String在线数据库,描绘交集的靶位蛋白质-蛋白质作用(PPI)网络系统;最后利用Metascape数据库系统,对靶基因实现GO功能和KEGG通路富集的解析。结果 得出芪归银方活性成分73个,共对应922个靶点,253个脓毒症相关靶点,有75个共同靶点。GO功能富集分析显示芪归银方可影响1 576个生物过程,90个分子功能和64个细胞组成。KEGG通路富集分析共得到252条通路,结果显示芪归银方治疗脓毒症主要与血小板活化信号通路、HIF-1信号通路、AGE-RAGE信号通路等相关。结论 芪归银方可能通过血小板活化信号通路、HIF-1信号通路、AGE-RAGE信号通路等影响脓毒症的炎症与凝血机制。Objective:To predict the main active components,targets and signaling pathways of Qiguiyin Decoction in the treatment of sepsis based on network pharmacology,and to explore its potential biological mechanism.Methods:The Chinese herbal medicine chemical composition of Qiguiyin Decoction was searched through the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform,and the potential active compounds were screened with the oral bioavailability(OB)≥30%and drug^likeness(DL)≥0.18 as the threshold.The target of the active compound was queried through the Swiss Target Prediction database,and the disease target was predicted using the TTD,Drug bank and DisGeNET database.The intersection of the active ingredient target and the disease target were found by Excel software and the interaction network of the target proteins of the active components was constructed by using the software of Cytoscape 3.7.2.The intersection target protein-protein interaction(PPI)network was constructed by using the String online database.Finally,GO function and KEGG pathway enrichment of target genes were analyzed by Metascape database.Results:A total of 73 active ingredients of Qiguiyin Decoction were screened out,with 922 corresponding targets,253 sepsis-related targets,and 75 intersection targets.GO functional enrichment analysis showed that Qiguiyin Decoction could affect 1576 biological processes,90 molecular functions and 64 cell components.Through enrichment analysis of KEGG pathway,252 pathways were obtained.The results showed that the treatment of sepsis by Qiguiyin Decoction was mainly related to platelet activation signaling pathway,HIF-1 signaling pathway,AGE-RAGE signaling pathway,etc.Conclusion:Qiguiyin Decoction may affect the inflammation and coagulation mechanism of sepsis through platelet activation signaling pathway,HIF-1 signaling pathway and AGE-RAGE signaling pathway.
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