基于网络药理学和分子对接分析芪参益气滴丸治疗急性冠脉综合征的作用机制

Based on network pharmacology and molecular docking analysis of the mechanism of Qishen Yiqi dripping pill in the treatment of acute coronary syndrome

关键词:  芪参益气滴丸  急性冠脉综合征  急性心肌梗死  不稳定型心绞痛  网络药理学  分子对接

Key words:  Qishen Yiqi dripping pills  acute coronary syndrome  acute myocardial infarction  unstable angina pectoris  network pharmacology  molecular docking

摘要:

[目的] 通过网络药理学和分子对接方法分析芪参益气滴丸（QSYQ）治疗急性冠脉综合征（ACS）的有效成分、作用靶点和通路，探讨其作用机制。[方法] 利用TCMSP、Batman平台，检索QSYQ有效成分及相应作用靶点，通过GeneCards、OMIM、TTD平台筛选疾病相关靶点，并获得QSYQ和急性心肌梗死、不稳定型心绞痛共同靶点，利用STRING平台构建靶点网络图、PPI网络图，利用DAVID平台进行GO功能和KEGG通路富集分析，再根据AutodockTools1.5.6软件进行分子对接。[结果] 共筛选出QSYQ治疗急性心肌梗死、不稳定型心绞痛有效成分130个，潜在作用靶点36个，关键靶点7个，发现一氧化氮生物合成过程的正调控、对缺氧的反应、细胞对脂多糖的反应等生物学功能及肿瘤坏死因子（TNF）信号通路、核因子-κB（NF-κB）信号通路、NOD样受体信号通路、缺氧诱导因子1（HIF-1）信号通路等在QSYQ治疗ACS起到较为关键的作用。[结论] QSYQ主要活性成分有木犀草素、槲皮素、人参皂苷rh2、丹参酮ⅡA，通过多靶点多通路发挥治疗ACS的作用。

Abstract:

[Objective] To analyze the effective components,targets and pathways of Qishen Yiqi dripping pills (QSYQ) in the treatment of acute coronary syndromethrough network pharmacology and molecular docking methods,and to explore its mechanism.[Methods] To search for the active ingredients and corresponding targets of QSYQ throughTCMSP,Batman platform. To obtain common targets for QSYQ,acute myocardial infarctionand unstable angina pectoris,through GeneCards,OMIM,TTD platform screens disease-related targets. To construct the target network diagram and PPI network diagram through STRING platform. Through DAVID platform to perform GO function and KEGG pathway enrichment analysis,and finally perform molecular docking according to the Autodock Tools 1.5.6 software.[Results] A total of 130 active ingredients of QSYQ for the treatment of AMI and UA were screened,and 36 potential targets were selected. There were 7 key targets selected. It was found that was the positive regulationresponse to hypoxia of the nitric oxide biosynthesis,cell response to lipopolysaccharide,extracellular space and TNF signaling pathways,NF-kappa B signaling pathway,NOD-like receptor signaling pathway,HIF-1 signaling pathway played a key role in the treatment of ACS by QSYQ.[Conclusion] The main active ingredients of QSYQ were luteolin,quercetin,ginsenoside rh2 and Tanshinone Ⅱ A,which can treat ACS through multiple targets and multiple pathways.