基于网络药理学与分子对接技术探讨白花蛇舌草治疗鼻咽癌的作用机制

Mechanism of Hedyotis diffusa in the treatment of nasopharyngeal carcinoma based on network pharmacology and molecular docking technology

摘要:

目的基于网络药理学与分子对接技术探讨白花蛇舌草治疗鼻咽癌的作用机制。方法利用TCMSP、GeneCards数据库获取白花蛇舌草化合物、靶点与鼻咽癌靶点。将交集靶点导入STRING数据库构建靶点蛋白互作网络,筛选关键化合物与核心靶点,并进行分子对接。将交集靶点导入DAVID平台进行GO与KEGG富集分析。结果白花蛇舌草有效化合物6个,作用于鼻咽癌靶点49个,关键化合物4个,核心靶点12个。Degree值排前5的核心靶点与4个关键化合物体现较好结合性。白花蛇舌草治疗鼻咽癌主要影响163个生物学过程、63条通路。结论白花蛇舌草可能通过4个关键化合物作用于5个核心靶点影响生物学过程,调节关键通路来发挥治疗鼻咽癌的作用。

Abstract:

To explore the mechanism of Hedyotis diffusa in the treatment of nasopharyngeal carcinoma based on network pharmacology and molecular docking technology. MethodsThe compounds, targets and nasopharyngeal carcinoma targets of Hedyotis diffusa were obtained by TCMSP, GeneCards database. The intersecting targets were imported into STRING database to construct target protein interaction network, screen key compounds and core targets, and conduct molecular docking. Import the intersection target into DAVID platform for GO and KEGG enrichment analysis. ResultsThere were 6 effective compounds of Hedyotis diffusa, 49 targets for nasopharyngeal carcinoma, 4 key compounds and 12 core target genes. The top 5 core targets of degree value showed good binding with 4 key compounds. There are 163 biological processes and 63 pathways mainly affected by Hedyotis diffusa in the treatment of nasopharyngeal carcinoma. ConclusionHedyotis diffusa may exert its therapeutic effect on nasopharyngeal carcinoma by affecting biological processes and regulating key pathways through 4 key compounds acting on 5 core targets.