补中益气汤治疗宫颈人乳头瘤病毒感染作用机制的网络药理学和分子对接研究  

Network pharmacology and molecular docking study on the mechanism of Buzhong Yiqi Decoction in the treatment of cervical HPV infection

作　　者：程曦 马小娜 CHENG Xi;MA Xiaona(Bejing University of Chinese Medicine,Beijing 100029,China;不详)

机构地区：[1]北京中医药大学第三临床医学院,北京100029 [2]北京中医药大学第三附属医院,北京100029

出　　处：《中国临床研究》2025年第4期606-611,共6页Chinese Journal of Clinical Research

基　　金：国家自然科学基金面上项目(81973895);北京中医药大学重点攻关项目(2020-JYB-ZDGG-143-3)。

摘　　要：目的 运用网络药理学及分子对接探讨补中益气汤的有效成分及治疗宫颈人乳头瘤病毒(HPV)感染的作用机制。方法 补中益气汤的主要化学成分和作用靶点从TCMSP数据库中检索和筛选,并采用Uniprot数据库统一基因名。从OMIM、GeneCards、DisGeNET等数据库搜集与宫颈HPV感染疾病有关的靶点基因。进行Venn分析得到补中益气汤治疗宫颈HPV感染的潜在作用靶点,利用STRING数据库构建补中益气汤治疗宫颈HPV感染的蛋白相互作用(PPI)网络并进行拓扑分析。对药物和疾病的交叉基因进行GO与KEGG分析。将之前获得的药物关键活性成分和主要目标基因导入Autodockvina软件进行分子对接检验。结果 最终筛选出补中益气汤药物有效成分256个,其中与宫颈HPV感染有关的基因155个。PPI分析提示补中益气汤药物治疗宫颈HPV感染疾病的核心靶点基因为AKT1、TP53、IL6、VEGFA、JUN等。GO和KEGG分析结果显示靶点主要涉及相同蛋白结合等分子功能,作用于TNF、IL-17、AGE-RAGE等多条信号通路。分子对接结果提示核心靶点基因和有效成分的结合能力较好。结论 补中益气汤可通过多靶点、多通路协同治疗宫颈HPV感染。Objective To investigate the potential mechanism of action of Buzhong Yiqi Decoction in the treatment of cervical human papillomavirus(HPV)infection based on network pharmacology and molecular docking technology.Methods The main chemical components and action targets of Buzhong Yiqi Decoction were searched and screened from TCMSP databases,and the gene names were unified by Uniprot database.Target genes related to cervical HPV infection diseases were collected from OMIM,GeneCards,DisGeNET and other databases.Wayne analysis was carried out to get the potential target of Buzhong Yiqi Decoction in treating cervical HPV infection,and the protein-protein interaction(PPI)network of Buzhong Yiqi Decoction in treating cervical HPV infection was constructed by using STRING database,and the topological analysis was carried out.GO and KEGG analysis were performed on the cross genes of drugs and diseases.The key active components and main target genes of the drug obtained before were imported into Autodockvina software for molecular docking test.Results Finally,256 active components of Buzhong Yiqi Decoction were screened out,including 155 genes related to cervical HPV infection.PPI analysis suggested that the core target genes of Buzhong Yiqi Decoction in treating cervical HPV infection diseases were AKT1,TP53,IL6,VEGFA,JUN,etc.GO and KEGG analysis showed that key targets involved a variety of molecular function affecting protein binding,identical protein binding,enzyme binding etc,acting on a variety of signaling pathways such as TNF,IL-17 and AGE-RAGE signaling pathway,etc.The molecular docking results showed good docking activity between the ligand and the receptor.Conclusion Buzhong Yiqi Decoction intervenes in multiple pathways by affecting multiple targets to achieve therapeutic effects on cervical HPV.

关 键 词：补中益气汤 人乳头瘤病毒 宫颈感染 网络药理学 分子对接 作用机制 

分 类 号：R289[医药卫生—方剂学] R271.9[医药卫生—中药学]