基于网络药理学及分子对接技术研究白头翁治疗肺癌的潜在作用机制

To study the potential mechanism of pulsatilla pulsatilla in the treatment of lung cancer based on network pharmacology and molecular docking technology

目的:探寻白头翁治疗肺癌的物质基础及潜在的作用机制,为肺癌的中医药治疗提供参考。方法:通过TCMSP及Swiss Target Prediction数据库检索白头翁活性成分及作用靶点;通过OMIM和GeneCards数据库筛选肺癌疾病靶点;采用DAVID数据库对白头翁的作用靶点进行GO功能和KEGG信号通路富集分析;使用Auto Dock Vina软件对白头翁核心成分与靶蛋白进行分子对接验证。结果:白头翁与肺癌交集靶点共21个,主要富集在33个GO生物功能和50条KEGG通路,分子对接所得结合能均较低。结论:白头翁通过调节细胞增殖和凋亡等功能,并影响VEGF和p53等信号通路发挥其抗癌作用,可为肺癌的基础实验与临床研究提供理论依据。

Objective:To explore the material basis and potential mechanism of Pulsatilla pulsatilla in the treatment of lung cancer,and to provide reference for the treatment of lung cancer with TRADITIONAL Chinese medicine.Methods:The active components and Target were searched by TCMSP and Swiss Target Prediction database.Lung cancer targets were screened by OMIM and GeneCards databases.DAVID database was used to analyze the GO function and KEGG signal pathway enrichment of the target of Pulsatilla pulsatilla.Auto Dock Vina was used to verify the molecular docking between core components and target protein of Pulsatilla pulsatilla.Results:There were 21 targets for the intersection of Pulpaeatum and lung cancer,which were mainly enriched in 33 GO biological functions and 50 KEGG pathways,and the binding energy obtained by molecular docking was low.Conclusion:Pulsatilla pulsatilla plays an anticancer role by regulating cell proliferation and apoptosis and influencing VEGF and p53 signaling pathways,which can provide theoretical basis for basic experiments and clinical studies of lung cancer.