基于网络药理学和分子对接探讨黄芪治疗卵巢癌的作用机制

Exploration of Mechanism of Astragali Radix in the Treatment of Ovarian Cancer Based on Network Pharmacology and Molecular Docking

目的采用网络药理学方法和分子对接技术探讨黄芪治疗卵巢癌的可能机制。方法利用靶点预测平台TCMSP数据库和PubChem数据库并结合文献,筛选黄芪活性成分及靶点;利用OMIM数据库和GeneCards数据库获取卵巢癌相关靶点;利用Cytoscape 3.7.1软件和String数据库绘制“黄芪活性成分-交集靶点”网络图和蛋白互作图。利用Metascape数据库对交集靶点进行GO富集分析和KEGG通路富集分析。利用Autodock Vina 1.2.2进行关键成分和核心靶点的分子对接。结果获取到黄芪潜在活性成分19种,作用于109个潜在靶点,涉及5829个GO条目和238条信号通路。分子对接结果显示,关键成分与核心靶点结合较好。结论本研究初步揭示了黄芪治疗卵巢癌的关键成分、核心靶点和主要生物学过程和信号通路,为进一步实验研究提供一定参考。

OBJECTIVE To explore the potential mechanism of Astragali Radix against ovarian cancer base on network pharmacology and molecular docking.METHODS The targets of Astragali Radix were obtained by searching TCMSP database and PubChem database and the targets of ovarian cancer were obtained by searching OMIM database and GeneCards database.The key components of Astragali Radix against ovarian cancer were obtained by constructing“active components-targets”network.The core targets were obtained by constructing the PPI network with String database and Cytoscape3.7.1.GO enrichment analysis and KEGG pathway enrichment analysis were done by searching Metascape database.Molecular docking verification were done by Autodock Vina 1.2.2.RESULTS There were 19 effective components,109 targets,5829 GO biological processes and 238 KEGG pathways.The results of molecular docking showed that the key components were stable combined with the core targets.CONCLUSION This study preliminarily revealed the key components,core targets,and the main biological processes and KEGG pathways involved in the treatment of ovarian cancer with Astragali Radix,and provided reference for further experimental research.