【摘要】 目的 利用网络药理学和分子对接技术分析方法，建立黄精抗食管癌的“化合物-靶标-疾病-通路”作用网络，探索黄精抗食管癌的作用机制。方法 利用TCMSP搜索黄精活性成分，并通过PubChem、Swisstargetprediction数据库预测药物靶点；通过Genecards数据库检索食管癌的靶点。将成分靶点与疾病靶点取交集后得到黄精治疗食管癌的潜在靶点。通过Cytoscape进行“药物-活性成分-靶点”网络构建及分析，利用String数据库、Cytoscape软件绘制PPI网络图及进行网络拓扑学分析，通过DAVID数据库进行GO和KEGG分析预测细胞生物功能和信号通路，根据Degree排名前4的关键药效成分和排名前6的关键靶点进行分子对接。结果 黄精和食管癌的交集靶点有307个，主要活性成分可能为4’,5-二羟基黄酮、黄芩素、zhonghualiaoine 1、1,1’-O二(α-环戊二烯叉乙基)二茂铁，核心靶点为SRC、PIK3CA、PIK3CB、PIK3CD、STAT3、CYP3A4等。经过GO和KEGG分析发现，307个共同靶点能影响855个细胞生物功能和159条信号通路。分子对接结果显示选取的6个核心靶点和4个关键药效成分均有较好的结合活性。结论 黄精治疗食管癌的作用机制是基于多成分、多靶点、多细胞生物功能及多通路的相互协作。更多还原

【Abstract】 Objective To establish the "compound-target-disease-pathway" network of Rhizoma Polygonati Odorati and explore the mechanism of action of Rhizoma Polygonati Odorati against esophageal cancer by using network pharmacology and molecular docking technology.Methods TCMSP was used to search for the active ingredients of Rhizoma Polygonati Odorati and predict the drug targets through PubChem and Swisstargetprediction databases, while the targets of esophageal cancer were retrieved through Genecards database. The intersection of constituent targets and disease targets was taken to obtain the potential targets of flavonoids for the treatment of esophageal cancer. The "drug-active ingredient-target" network was constructed and analyzed by Cytoscape, and the PPI network diagram and network topology analysis were drawn by using String database and Cytoscape software, and the cell biological functions and signaling pathways were predicted by GO and KEGG analyses in DAVID database. signaling pathways, and molecular docking was performed based on the key pharmacodynamic components ranked top 4 and the key targets ranked top 6 by Degree.Results There were 307 intersecting targets of flavonoids and esophageal cancer, and the main active ingredients might be 4’,5-dihydroxyflavonoids, baicalein, zhonghualiaoine 1,1,1’-O di(α-cyclopentadienylidene forked ethyl)ferrocene, and the core targets were SRC,PIK3CA,PIK3CB,PIK3CD,STAT3,CYP3A4,and so on. After GO and KEGG analysis, 307 common targets were found to affect 855 cellular biological functions and 159 signaling pathways. The molecular d-ocking results showed that the selected six core targets and four key pharmacodynamic components had good binding activities.Conclusion The treatment of esophageal cancer by yellow essence is based on the interplay of multiple components, multiple targets, multiple cell biological functions and multiple pathways.更多还原