宜春学院学报

目的:基于网络药理学和分子对接方法，探讨川芎茶调颗粒的有效成分治疗周围性面神经炎的机制。方法:采用TCMSP数据库筛选出川芎茶调颗粒的活性成分及其靶点，通过Uniprot数据库匹配靶点对应的基因，借助GeneCards、NCBI、TCMSP、TTD数据库获取周围性面神经炎的疾病靶点，利用微生信获取“药物-疾病”的交集靶点，并导入STRING数据库，使用Cytoscape 3.7.1软件构建药物-成分-靶点网状图和蛋白互作网状图。利用微生信在线工具进行富集分析。最后，进行重要靶点和主要有效成分的分子对接，从而对网络药理学结果的可靠性进行验证。结果:通过筛选共获得136个活性成分，66个“药物-疾病”交集靶点；GO分析总共富集到1936个条目，包括1763项生物过程(BP)、121项分子功能(MF)、52项细胞组分(CC)。KEGG分析，共得到125条信号通路，关键靶点与核心活性成分的分子对接结果良好。结论:川芎茶调颗粒含有quercetin、luteolin、wogonin等活性成分，可能通过调节IL-6、TNF、IL1B等靶点和IL-17、TNF、NF-kappa B等关键信号通路发挥治疗周围性面神经炎的作用，从而为临床应用川芎茶调颗粒治疗周围性面神经炎提供理论支持。

Objective:To explore the mechanism of the active ingredients of Chuanxiong Chatiao Granules in treating peripheral facial neuritis based on network pharmacology and molecular docking methods.Methods:The active ingredients and their targets of Chuanxiong Chatiao Granules were screened out using the TCMSP database, and the genes corresponding to the targets were matched through the Uniprot database.The disease targets of peripheral facial neuritis were obtained by means of GeneCards, NCBI,TCMSP,and TTD database.The intersection targets of“drug-disease”were obtained by using the bioinformatics, and imported into the STRING database.The drug-component-target network and protein-protein interaction(PPI)network were constructed using Cytoscape 3.7.1.Enrichment analysis was carried out using the online tool of bioinformatics.Finally, molecular docking of important targets and main active ingredients was carried out to verify the reliability of the results of network pharmacology.Results:A total of 136 active ingredients and 66“drug-disease”intersection targets were obtained through screening.GO analysis enriched a total of 1936 entries, including 1763 biological processes(BP),121 molecular functions(MF),and 52 cellular components(CC).In KEGG analysis, a total of 125 signal pathways were obtained, and the molecular docking results of key targets and core active ingredients were good.Conclusion:Chuanxiong Chatiao Granules contain active ingredients such as quercetin, luteolin, and wogonin, and may play a role in treating peripheral facial neuritis by regulating targets such as IL-6,TNF,and IL1B and key signal pathways such as IL-17 signaling pathway, TNF signaling pathway, and NF-kappa B signaling pathway, thereby providing theoretical support for the clinical application of Chuanxiong Chatiao Granules to treat peripheral facial neuritis.