千里光药材功效关联物质预测研究  

Prediction of Efficacy-Related Substances in Senecionis Scandentis Hebra

作　　者：蒋学青 陈彦洁 罗鑫 谢谭芳 王志萍 JIANG Xueqing;CHEN Yanjie;LUO Xin;XIE Tanfang;WANG Zhiping(School of Pharmacy,Guangxi University of Chinese Medicine,Nanning,Guangxi,China 530200;Key Laboratory of Generic Technology Research and Development of Traditional Chinese Medicine Preparations in Colleges and Universities in Guangxi,Nanning,Guangxi,China 530200)

机构地区：[1]广西中医药大学药学院,广西南宁530200 [2]广西高校中药制剂共性技术研发重点实验室,广西南宁530200

出　　处：《中国药业》2024年第4期57-62,共6页China Pharmaceuticals

基　　金：广西壮族自治区科技计划项目[桂科AA18126003]。

摘　　要：目的预测并分析千里光药材功效关联物质。方法采用高效液相色谱(HPLC)法,色谱柱为Shim-pack GIST C_(18)柱(250 mm×4.6 mm,5µm),流动相为乙腈-0.1%磷酸水溶液(梯度洗脱),流速为1.0 mL/min,检测波长为345 nm,柱温为25℃,进样量为10µL。建立15批药材样品的HPLC指纹图谱,采用中药色谱指纹图谱相似度评价系统(2012版)进行相似度评价,确定共有峰。通过聚类分析、主成分分析初步预测潜在功效成分;运用网络药理学技术挖掘成分潜在作用靶点,构建蛋白相互作用(PPI)网络,并进行基因本体论(GO)功能富集分析及京都基因与基因组百科全书(KEGG)通路富集分析与成分-靶点-通路网络构建,进一步预测千里光药材潜在功效成分及核心靶点、通路等方面的作用机制。结果共有18个共有峰,指认出其中7个,分别为绿原酸、咖啡酸、金丝桃苷、异槲皮苷、芦丁、异绿原酸A、异绿原酸C,15批药材样品的相似度介于0.892~0.997(仅1批小于0.9);可聚为2类,归纳出4个主成分;7种(共有峰)成分共关联109个靶点,18个关键靶点(包括EGFR,JUN,ESR1,MMP-9等);共富集到GO条目233条,其中生物学过程197条,细胞组成17条,分子功能19条,分别主要涉及细胞对辐射的反应、膜筏、信号受体活性调节等;富集到KEGG通路59条,主要涉及肿瘤信号通路、内分泌耐药通路、松弛素信号通路等。结论千里光药材可能通过咖啡酸、异槲皮苷、金丝桃苷等功效成分作用于EGFR,ESR1,JUN,MMP-9等靶点发挥功效。Objective To predict and analyze the efficacy-related substances in Senecionis Scandentis Hebra.Methods The high-performance liquid chromatography(HPLC)method was adopted.The chromatographic column was Shim-pack GIST C_(18) column(250 mm×4.6 mm,5µm),the mobile phase was acetonitrile-0.1%phosphoric acid aqueous solution(gradient elution),the flow rate was 1.0 mL/min,the detection wavelength was 345 nm,the column temperature was 25℃,and the injection volume was 10µL.The HPLC fingerprints of 15 batches of medicinal material samples were established,and the Similarity Evaluation System for Chromatographic Fingerprints of Traditional Chinese Medicine(Version 2012)was used for the similarity evaluation,and the common peaks were identified.Cluster analysis and principal component analysis were performed for the preliminary prediction of potential efficacy components.The potential targets of components were obtained,the protein-protein interaction(PPI)network was constructed,the Gene Ontology(GO)functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis were performed,the components-targets-pathways network was constructed based on the network pharmacology technology to further predict the mechanism of potential efficacy-related components,core targets and pathways of Senecionis Scandentis Hebra.Results Eighteen common peaks were obtained,of which seven were identified as chlorogenic acid,caffeic acid,hyperoside,isoquercetin,rutin,isochlorogenic acid A and isochlorogenic acid C.The similarity of 15 batches of medicinal material samples was in the range of 0.892 to 0.997,with only one batch lower than 0.9.Fifteen batches of medicinal material samples could be grouped into two categories,and four main components were identified.A total of 109 targets and 18 key targets(including EGFR,JUN,ESR1,MMP-9 and so on)were associated with seven components(common peaks).A total of 233 GO entries were obtained,including 197 biological processes,17 cellular components,and 19 molecul

关 键 词：千里光 功效关联物质 高效液相色谱法 指纹图谱 聚类分析 主成分分析 网络药理学 

分 类 号：R917[医药卫生—药物分析学]