基于网络药理学和分子对接探究桑白皮治疗慢性阻塞性肺疾病的潜在作用机制

The Potential Mechanism of SangBaiPi in the Treatment of COPD Based on Network Pharmacology and Molecular Docking Technology

目的利用网络药理学的方法研究桑白皮治疗慢性阻塞性肺疾病(COPD)的作用靶点以及分子机制。方法利用中药系统药理学分析平台(TCMSP)获取桑白皮的活性成分及活性成分的作用靶点;在OMIM和GenCards数据库中检索筛选COPD相关的靶点,两者取交集获得桑白皮治疗COPD的核心靶点。由Cytoscape 3.7.0构建活性药物-疾病-成分-靶点网络;STRING数据库构建靶点蛋白互作网络;DAVID数据库对靶点基因开展生物功能与通路富集分析,构建桑白皮活性成分-核心靶点-作用通路网络图。结果从桑白皮中筛选得到31个活性化合物和93个相应靶点,COPD 3565个相关靶点,两者映射获得治疗COPD作用的活性成分22种:主要为槲皮素、山奈酚等,作用于IL6、VEGFA、EGFR、MAPK8等76个COPD核心靶点,生物功能与通路富集分析表明,桑白皮主要通过调控凋亡过程、细胞增殖、氧化还原过程、老化等生物行为,对信号通路PI3K-Akt、TNF、MAPK、P53、HIF-1等施以调节,起到治疗COPD作用。结论研究结果体现了桑白皮治疗慢性阻塞性肺疾病多成分、多靶点、多途径的作用特点,为桑白皮治疗COPD的进一步研究提供参考依据。

OBJECTIVE To study the target and molecular mechanism of SangBaiPi in the treatment of chronic obstructive pulmonary disease(COPD)by network pharmacology.METHODS The main active ingredients of SangBaiPi and the targets of active ingredients were obtained by TCMSP.The OMIM and GeneCards were used to predict and screen the COPD targets.The Cytoscape 3.7.0 software was used to construct the drug-disease-active ingredients-targets network.The protein interactions network was constructed using the STRING database.The GO and KEGG pathways of the targets were analyzed by using DAVID database to construct the active component core target action pathway network map of SangBaiPi.RESULTS 31 active compounds and 93 corresponding targets were screened from SangBaiPi,and 3518 related targets for COPD were identified.The 22 active component were mapped from the two compounds Species:Quercetin,kaempferol,etc,which acts on 76 core targets of COPD,such as IL6,VEGFA,EGFR,MAPK8.Biological function and pathway enrichment analysis showed that the targets of SangBaiPi mainly included in apoptosis process,cell proliferation,oxidation-reduction process,aging,and other biological processes.SangBaiPi plays a role in the treatment of COPD by regulating PI3 K Akt,TNF,MAPK,HIF-1,p53,and other signaling pathways.CONCLUSION This study reflects the characteristics of multi-component,multi-target,and multi-pathway of SangBaiPi in the treatment of COPD,which provides reference for further research on the mechanism of COPD effects of SangBaiPi.