Objective To excavate the key target of Liujunzi decoction based on systems pharmacology,and to provide a new direction for the further study of the mechanisms of Liujunzi decoction. Methods The composition database of Liujunzi decoction was constructed based on the database and literature. The active ingredients were screened by oral bioavailability,drug likeness and half-life. On this basis, the active ingredients were predicted by SysDT target-predicted model. And then the active ingredient-predicted target network was constructed by Cytoscape software. Finally, the key target was selected by network analysis,and the target-disease network was constructed according to the target morbid information of Uniprot database,and main diseases of Liujunzi decoction were obtained by means of method of statistic analysis. Results The most important targets were PTGS2,PTGS1,GARBRA1 and PRKACA of Liujunzi decoction. Combined with the Uniprot database to obtain the disease information of key targets. The statistics showed that the Liujunzi decoction had a therapeutic effect for ulcerative colitis and many in-flammation,as well as prostate cancer,breast cancer,solid tumors and other cancer. In addition, it also showed a potential therapeutic effect on cardiovascular disease, thrombosis and Alzheimer's disease, and some published papers had confirmed by each other,the treatment of cancer and the effect of Alzheimer's disease remains to be further studied. Conclusion The research method based on systems pharmacology can help to find the key targets and potential diseases of Liujunzi decoction, and provide a new research direction for further study of the mechanisms of Liujunzi decoction.%目的 通过系统药理学的方法挖掘六君子汤的关键靶标,为进一步研究六君子汤的作用机制提供新的方向.方法 基于数据库及文献构建了六君子汤的成分组合库;通过口服生物利用度、药物相似度及半衰期三个参数对化学成分进行活性筛选,在此基础上,通过SysDT靶点预测模型进行活性成分的靶点预测,然后通过Cytoscape软件构建活性成分-预测靶点网络;最后通过网络分析筛选出关键靶点,结合Uniprot数据库的靶点的疾病信息来构建靶点-疾病网络,并通过统计分析得出六君子汤的主治疾病.结果 通过中心性算法进行计算分析得到六君子汤中最重要的四个靶点分别是环氧酶-2(PTGS2)、环氧酶-1(PTGS1)、γ-氨基丁酸受体α-1亚型(GARBRA1)、PKA催化剂C-α亚型的mRNA (PRKACA);结合Uniprot数据库获得与六君子汤的关键靶点相对应的疾病信息,统计发现该方对于溃疡性结肠炎和众多炎症可能具有治疗效果,同时对于前列腺癌、乳腺癌、实体瘤等癌症,以及心血管疾病、血栓症和阿兹海默症也显示出潜在的治疗作用,与部分已发表论文相互印证,其治疗癌症与阿兹海默症的效果还有待进一步研究.结论 基于系统药理学的研究方法有助于寻找六君子汤的关键靶点和疾病网络,为深入研究六君子汤的作用机制提供新的研究方向和思路.
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