医学信息2026，Vol.39Issue(7)：29-35,7.DOI:10.3969/j.issn.1006-1959.2026.07.006
基于网络药理学与分子对接探讨复方紫术栓治疗人乳头瘤病毒感染的作用机制
Mechanism of Compound Zizhu Suppository in the Treatment of Human Papilloma Virus Infection Based on Network Pharmacology and Molecular Docking
摘要
Abstract
Objective To deeply explore the mechanism of action of compound Zizhu suppository in treating human papilloma virus(HPV)infection using network pharmacology and molecular docking technology,providing data support for the clinical use of compound Zizhu suppository.Methods TCMSP and HERB databases were used to obtain the chemical constituents and action targets of compound Zizhu suppository.OMIM and GeneCards databases were used to search for targets related to HPV infection.The targets of compound Zizhu suppository and HPV infection were intersected to obtain the predicted targets of compound Zizhu suppository in the treatment of HPV infection.Cytoscape software was used to construct the interaction network diagram of"drug components-targets-pathways".STRING database and Cytoscape were used for protein interaction(PPI).DAVID database platform was used to analyze the biological process and metabolic pathway of compound Zizhu suppository in the treatment of HPV infection by GO functional enrichment and KEGG pathway enrichment analysis.The molecular docking verification was completed by AutoDock Vina software.Results Based on network pharmacology analysis,compound Zizhu suppository contained 211 active ingredients,with 1482 HPV infection-related targets,and 113 intersecting targets.Key targets for treating HPV infection with compound Zizhu suppository included STAT3,EGFR,AKT1,HSP90AA1,SRC,TNF,JUN and JAK2.The network diagram of"active ingredient-target-signaling pathway of traditional Chinese medicine"network analysis to construct compound Zizhu suppository for the treatment of HPV infection showed 567 nodes and 2072 edges.KEGG enrichment analysis showed that compound Zizhu suppository was mainly involved in PI3K-Akt signaling pathway,ErbB,PD-1/PD-L1 signaling pathway and cancer to exert its therapeutic effect.AKT1 had a good docking effect with most active ingredients.The binding effects of campesterol,CLR and quercetin with key proteins such as AKT1 and HSP90 AA1 were better.Conclusion Compound Zizhu suppository can regulate PI3K-Akt signaling pathway,ErbB signaling pathway,PD-1/PD-L1 signaling pathway and cancer signaling pathway through multi-component and multi-target,and play a role in the treatment of HPV infection.关键词
复方紫术栓/HPV感染/网络药理学/分子对接/作用机制Key words
Compound Zizhu suppository/HPV infection/Network pharmacology/Molecular docking/Mechanism of action分类
医药卫生引用本文复制引用
王乐,冯亚宏,杜小利,张晓静,李蒙茹,何佳佳,王钦娇..基于网络药理学与分子对接探讨复方紫术栓治疗人乳头瘤病毒感染的作用机制[J].医学信息,2026,39(7):29-35,7.基金项目
1.国家中医药管理局2022年青年岐黄学者培养项目(编号:国中医药人教函[2022]256号) （编号:国中医药人教函[2022]256号）
2.2017年自治区青年拔尖人才(冯亚宏)(编号:宁人社涵[2017]787号) （冯亚宏）
3.2023年中央财政转移支付地方项目(国家中医药管理局科技司)-中医药循证能力提升项目(妇科)(编号:国中医药科技中药便函[2023]24号) （国家中医药管理局科技司）
