秦艽_威灵仙药对的网络药理学研究_吴晨
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DOI:10.13193/j.issn.1673-7717.2021.01.050
秦艽-威灵仙药对的网络药理学研究
吴晨1,魏昀1,张志红2,高慧琴1
(1.甘肃中医药大学药学院,甘肃兰州730000;2.甘肃中医药大学期刊编辑部,甘肃兰州730000)
摘要:目的探讨秦艽-威灵仙药对“活性成分-作用靶点-信号通路-相关疾病”网络间的关系。方法通过中药系统药理学分析平台(TCMSP)、PubChem、SwissTargetPrediction数据库检索秦艽-威灵仙药对的活性成分及其作用靶点;通过STRING、DAVID、CTD等数据库查询药对作用靶点蛋白的相互作用关系并预测其作用通路和生物过程以及药对可治疗疾病的种类,进而讨论秦艽和威灵仙配伍后产生的药理作用规律。结果(1)秦艽-威灵仙药对共检索得到活性成分13个(11种),二者共有活性成分2个;(2)oleanolic acid和lematosideA'_qt是秦艽-威灵仙药对治疗疾病的关键活性成分,此外还有环烯醚萜类化合物、植物甾醇类化合物、皂苷类化合物、环烯醚萜苷类化合物、三萜化合物等成分在药对治疗疾病过程中发挥药效;(3)通过靶点蛋白的相互作用网络分析发现重要靶点55个,degree值排名前五的重要靶点分别为GAPDH、MAPK3、MAPK1、PTGS2和ESR1;(4)活性成分作用靶点与相关疾病网络分析得出药对可以治疗包括类风湿关节炎、肝细胞癌、实验性肝硬化、乳腺癌、前列腺癌和肥胖症等473种疾病;(5)共富集到GO生物过程28条,发现药对活性成分参与机体半乳糖代谢过程、类固醇生物合成过程、胰岛素抵抗过程、氮代谢过程、非小细胞肺癌发生过程、血管平滑肌收缩过程、药物代谢的合成过程等;(6)富集KEGG信号通路:秦艽-威灵仙药对活性成分主要对肿瘤、神经传导、炎症、内分泌等4大类信号通路发挥作用。结论秦艽-威灵仙药对的活性成分丰富,作用靶点多样,影响通路和生物过程繁杂,对自身免疫疾病、肿瘤、心血管疾病和化学药物损伤等方面的疾病具有较好疗效。
关键词:网络药理学;秦艽;威灵仙;药对;活性成分;作用机制
中图分类号:R284.1文献标志码:A文章编号:1673-7717(2021)01-0206-07
Network Pharmacology Analysis of Qinjiao(Gentiana Macrophylla)-Weilingxian
(Clematis Chinensis Osbeck)Couplet Medicines
WU Chen1,WEI Yun1,ZHANG Zhihong2,GAO Huiqin1
(1.College of Pharmacy,Gansu University of Chinese Medicine,Lanzhou730000,Gansu,China;
2.Editorial Department,Gansu University of Chinese Medicine,Lanzhou730000,Gansu,China)
Abstract:Objective To investigate the relationship among active components,action targets,pathways and diseases of Qin-jiao(Gentiana macrophylla)-Weilingxian(Clematis chinensis Osbeck)couplet medicines.Methods The main active ingredients,targets,diseases and pathways were enriched from TCMSP,PubChem,SwissTargetPrediction,STRING,DAVID database,etc.The relationship of targets protein,key pathways and kind of illness were predicted by STRING and DAVID database.Results(1)Thirteen different active ingredients and2same active ingredients were searched.(2)Oleanolic acid and lematosideA'_qt were key active ingredients,which were abstracted from Qinjiao(Gentiana macrophylla)-Weilingxian(Clematis chinensis Osbeck)couplet medicines.Iridoid terpenes,phytosterols,saponins,iridoid glycosides and triterpenes also played important roles.(3)Fifty-five important targets were found by analysis and top5targets were GAPDH,MAPK3,MAPK1,PTGS2and ESR1.(4)There were473kinds of diseases,which included rheumatoid arthritis,hepatocellular carcinoma,experimental liver cirrhosis,breast neoplasms,prostatic neoplasms and obesity,which can be cured by couplet medicines.(5)Twenty-eight biological processes were searched by GO analysis,which included galactose metabolism,steroid biosynthesis,insulin resistance,nitrogen metabolism,non-small cell lung cancer and vascular smooth muscle contraction.(6)Pathways in cancer,pathways in nerve conduction,pathways in inflammation and endocrine can be affected by couplet medicines.Conclusion Qinjiao(Gentiana macro-phylla)-Weilingxian(Clematis chinensis Osbeck)couplet medicines which have lots of ingredients that play important roles in many targets act on several pathways and biological processes and the couplet medicines are good for curing cancer,nerve con-duction,inflammation and endocrine.
Keywords:network pharmacology;Qinjiao(Gentiana macrophylla);Weilingxian(Clematis chinensis Osbeck);couplet medi-cines;chemical components;mechanism
基金项目:国家自然科学基金地区基金(81960725)
作者简介:吴晨(1994-),男,陕西宝鸡人,硕士,研究方向:中药与复方应用。
通讯作者:高慧琴(1962-),女,甘肃兰州人,教授,硕士研究生导师,学士,研究方向:中药基础理论及临床应用。E-mail:2739137732@qq.com。
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