[关键词]
[摘要]
目的 预测人参治疗心衰可能的质量标志物。方法 利用中医药整合药理学研究平台V2.0(TCMIP V2.0),将人参化学信息进行靶标预测,与心衰相关疾病靶标信息进行蛋白-蛋白相互作用(PPI)网络构建,富集分析药物干预疾病关键靶标,并构建出人参化学成分、关键作用靶标和疾病相关通路的相互作用网络,绘制"中药-化学成分-关键靶标-通路"网络图,分析得到作用于这些关键靶标的主要成分,即与药物有效性相关的化学成分,并根据质量标志物"五原则"结合文献报道对人参治疗心衰质量标志物进行预测。结果 针对人参治疗心衰方面共得到63条关键核心靶标信息,其中包含药物靶标63条以及疾病靶标2条,药物与疾病共有靶标2条,分别为ATP1A1和ADCY2。药物与疾病共有靶标可能是药物干预疾病的关键靶标,针对共有靶标ATP1A1和ADCY2筛选出人参作用于这些靶标的主要成分,并结合质量标志物成分可测性、特征性和传递性预测人参治疗心衰可能质量标志物。结论 在TCMIP V2.0现有基础上,分析得到了人参治疗心衰可能的质量标志物为人参皂苷类化合物包括人参皂苷Rg1、Re、Rf、Rb2等,为人参干预心衰后续研究提供依据。
[Key word]
[Abstract]
Objective To predict the possible quality markers of ginseng in the treatment of heart failure. Methods The ginseng chemical information was used to predict its putative targets related to heart failure by TCMIP V2.0 and the protein-protein interaction (PPI) network was constructed. The key targets of drug intervention on heart failure were enriched. The interaction network of chemical components-key targets-pathways was constructed to obtain the main components acting on these key targets, which are related to drug efficacy. According to the five principles of quality markers identification, we analyzed the quality markers of ginseng in the treatment of heart failure. Results A total of 63 key targets were obtained for ginseng in the treatment of heart failure, including 63 putative drug targets and two targets related to disease. ATP1A1 and ADCY2 are the common targets associated with the drug and disease. The common targets of ATP1A1 and ADCY2 may be the key targets of drug acting on disease. The main components of ginseng acting on these common targets were screened out, and then we have determined the possible quality markers of ginseng for the treatment of heart failure based on the five principles of quality markers. Conclusion We obtained the possible quality markers of ginseng in the treatment of heart failure, including ginsenoside Rg1, ginsenoside Re, ginsenoside Rf, and ginsenoside Rb2, which provided the basis for our deeper research of ginseng in the treatment of heart failure.
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[基金项目]
国家自然科学基金资助项目(81830111);国家自然科学基金资助项目(81774201);国家重点研发计划(2017YFC1702104);国家重点研发计划(2017YFC1702303);陕西省高校青年创新团队和陕西省科技厅项目(2016SF-378)