目的 基于網絡藥理學和分子對接探討二妙散治療宮頸人乳頭瘤病毒（HPV）感染作用機制。方法 通過中藥系統(tǒng)藥理學數據庫與分析平臺檢索二妙散的有效成分和作用靶點；GeneCards、OMIM數據庫檢索宮頸HPV感染相關疾病靶點。將藥物有效成分作用靶點與疾病靶點取交集；利用STRING數據庫構建交集靶點的蛋白相互作用（PPI）網絡，利用Cytoscape 3.8.2軟件對PPI進行拓撲分析；將潛在作用靶點導入DAVID數據庫進行基因本體功能（GO）和京都基因與基因組百科全書（KEGG）通路富集分析；利用AutoDock Tools 1.5.7軟件和Pymol軟件對核心作用靶點與有效成分進行分子對接及可視化。結果 獲得二妙散有效成分28個，作用靶點為221個，篩選出核心靶點5個，包括蛋白激酶B1（Akt1）、腫瘤蛋白p53（TP53）、雌激素受體α（ESR1）、轉錄因子AP-1（JUN）、半胱氨酸天冬氨酸蛋白酶3（CASP3）。GO富集分析顯示，潛在作用靶點與細胞增殖的正向調節(jié)、細胞凋亡過程的負調控、轉錄的正調控、RNA聚合酶II啟動子轉錄的正調控等生物過程有關；KEGG富集分析結果包括磷脂酰肌醇3-激酶（PI3K）/Akt信號通路、白細胞介素-17（IL-17）信號通路、細胞衰老、腫瘤壞死因子（TNF）信號通路等，核心作用靶點與有效成分具有較穩(wěn)定的結合能力。結論 二妙散具有多種活性成分，通過多靶點、多途徑干預宮頸HPV感染，發(fā)揮治療作用。

Objective To explore the mechanism of Ermiao Powder in treating cervical HPV infection based on network pharmacology and molecular docking. Method The active components and targets of Ermiao Powder were searched through the pharmacology database and analysis platform of TCM system. GeneCards and OMIM databases search for cervical HPV infection related disease targets. The target of drug active ingredient is intersected with the target of disease. The protein interaction (PPI) network of intersecting targets was constructed using STRING database, and topological analysis of PPI was carried out by Cytoscape 3.8.2 software. Potential targets were imported into DAVID database for GO and KEGG pathway enrichment analysis. AutoDock Tools 1.5.7 software and Pymol software were used for molecular docking and visualization of the core target and the active component. Result 28 Effective ingredients were obtained from Ermiao Powder, with 221 target sites. Five core targets were screened, including Akt1, TP53, ESR1, JUN, and CASP3. GO enrichment analysis shows that potential targets are related to biological processes such as positive regulation of cell proliferation, negative regulation of cell apoptosis, positive regulation of transcription, and positive regulation of RNA polymerase II promoter transcription. The KEGG enrichment analysis results include the PI3K/Akt signaling pathway, IL-17 signaling pathway, cell aging, TNF signaling pathway, etc. The core target of action has relatively stable binding ability with active ingredients. Conclusion Ermiao Powder has multiple active ingredients that can intervene in cervical HPV infection through multiple targets and pathways, exerting therapeutic effects.

R285

泰州市人民醫(yī)院院級科研基金項目（ZL202233）