【摘要】 目的 研究太白米5种主治病症(胃痛、呕吐反胃、腹胀、胸闷和慢性腹泻)的潜在药效成分和作用机制。方法 于CNKI及Web of Science数据库搜集太白米的化学成分，通过Swiss ADME平台和Swiss Tareget Prediction数据库获取成分作用靶点；于GeneCards、OMIM、Drugbank、Therapeutic Target Database、PharmGKB数据库获取5种病症的作用靶点；选取成分与病症交集靶点作为太白米不同主治病症的作用靶点；采用String数据库构建蛋白质相互作用网络，用David数据库进行GO功能和KEGG通路富集分析；通过分子对接技术对关键靶点及其对应成分进行体外结合模拟，验证网络分析的结果。结果 太白米5种主治病症的潜在药效物质和作用机制不尽相同，主要活性成分可能为黄芩素、阿魏酸、咖啡酸乙酯、茄次碱-3-O-β-D-吡喃葡萄糖苷、β-谷甾醇葡萄糖苷、1-O-咖啡酰甘油酯、对香豆酸甲酯和对羟基桂皮酸酯苷，通过作用于EGFR、HRAS、MAPK1、AKT、PDGFRA等关键靶点，调节PI3K/Akt、MAPK和癌症信号通路等，发挥治疗胃痛、呕吐反胃、腹胀、胸闷及慢性腹泻的作用。结论 分析预测了太白米作用于不同病症的潜在药效成分和分子机制，为其功效关联物质研究及作用机制阐释提供参考。更多还原

【Abstract】 OBJECTIVE To study the potential pharmacodynamic components and mechanisms of Notholirion Bulbuliferum Bulbus(TBM) in five main indications: stomach pain, vomiting and retching, bloating, chest tightness and chronic diarrhea.METHODS The chemical constituents of TBM were collected from CNKI and Web of Science databases, the targets of constituents were obtained through Swiss ADME platform and Swiss Target Prediction database, and the disease targets were obtained from GeneCards, OMIM,Drugbank, Therapeutic Target and PharmGKB databases.The overlapping targets between constituents and diseases were selected as the targets of different indications of TBM.The STRING database was used to establish the PPI network map.GO functional and KEGG pathway enrichment analysis were performed using the David online analysis platform.Molecular docking technology was used to simulate the binding of key targets and their corresponding components to verify the results of network analysis.RESULTS There are similarities and differences in the potential pharmacodynamic substances and mechanisms of TBM for the treatment of five main indications.In summary, the main active constituents include baicalein, ferulic acid, caffeic acid ethyl ester, solanidine-3-O-β-D-glucopyranoside, β-sitosterol glucoside, 1-O-caffeoyl glycerol, methyl p-coumarate and hydroxycinnamic acid esters.Those components may play a role for treatment of main indications by acting on key targets such as EGFR,HRAS,MAPK1,AKT,PDGFRA and regulating the PI3K/Akt, MAPK,cancer and other signaling pathways.CONCLUSION This study analyzed and predicted the potential pharmacodynamic material basis and mechanism of TBM on different indications, which provided a reference for the study of its efficacy-related substances and the mechanisms.更多还原