Fufang E’jiao Jiang(FEJ)as a healthy food consisting of medicine food homology materials approved by China’s Ministry of Health has been extensively applied to replenish qi and nourish blood,and it has a positive im...Fufang E’jiao Jiang(FEJ)as a healthy food consisting of medicine food homology materials approved by China’s Ministry of Health has been extensively applied to replenish qi and nourish blood,and it has a positive impact on women’s health.To find out the material basis and mechanism of FEJ,a systematic“compoundeffect-target”analysis including chemical composition resolution,zebrafish,network pharmacology,molecular docking,transcriptome,and bibliometric analysis was adopted.124 chemical components including ginsenosides,and phenylethanoid glycosides in FEJ were discovered,and effects of FEJ on promoting the generation of immune cells,erythropoiesis and angiogenesis in zebrafish were exhibited.Based on network pharmacology,molecular docking and in vivo activity assay,6 compounds including jionoside A1,isoacteoside,echinacoside,acteoside,lobetyolin,and rehmannioside D were identified as active components of FEJ.Transcriptome data showed that several pathways such as complement and coagulation cascades,ECM-receptor interaction,and PI3K-Akt signaling pathway were associated with proangiogenic effect of FEJ.19 common targets were obtained through combined analysis of network pharmacology and transcriptomics,and 5 targets of them were verified by PCR.The bibliometric analysis of these common targets revealed that FEJ was related to energy metabolism,pathway in cancer,etc.,which was consistent with the results of network pharmacology and transcriptome.The studies suggested that FEJ could replenish qi and nourish blood through multi-compound and multi-targets.展开更多
目的:采用网络药理学和分子对接技术预测竹沥-生姜配伍治疗中风病的作用靶点,探讨其治疗中风病的潜在分子作用机制和有效物质。方法:利用PubChem、SwissTargetPrediction和UniProt数据库挖掘竹沥-生姜药对的潜在活性成分及药物靶点,通过...目的:采用网络药理学和分子对接技术预测竹沥-生姜配伍治疗中风病的作用靶点,探讨其治疗中风病的潜在分子作用机制和有效物质。方法:利用PubChem、SwissTargetPrediction和UniProt数据库挖掘竹沥-生姜药对的潜在活性成分及药物靶点,通过GeneCards数据库筛选疾病靶点。将药物靶点与疾病靶点匹配所得交集靶点导入STRING构建蛋白质-蛋白质相互作用网络。借助Cytoscape软件筛选关键靶点,将关键靶点与对应成分联系起来绘制网络图,筛选关键成分;对关键靶点进行基因本体论(GO)和京都基因与基因组百科全书(KEGG)富集分析。通过AutoDock软件对关键活性成分与潜在作用靶点进行分子对接验证。结果:筛选得到药组活性成分41个,相关靶点291个,中风病相关靶基因729个,以及竹沥-生姜药对治疗中风病的交集靶点67个。这些交集靶点主要参与细胞炎症反应、细胞活化、细胞免疫反应等过程,并与癌症的途径、脂质与动脉粥样硬化及糖尿病并发症中的晚期糖基化终末产物(Advanced Glycation EndProduct,AGE)-晚期糖基化终末产物受体(Receptor for Advanced Glycation End Products,RAGE)信号通路等相关。分子对接结果显示,竹沥、生姜的主要活性成分与中风病的潜在作用靶点间具有一定的结合活性。结论:竹沥-生姜可通过多成分、多靶点、多通路发挥对中风病的治疗作用。本研究为后续药理机制探索提供方向,为该药对临床应用提供了理论依据。展开更多
基金supported by the National Key R&D Program of China(2018YFC1707300)the Taishan Industrial Experts Program(tscx202211148).
文摘Fufang E’jiao Jiang(FEJ)as a healthy food consisting of medicine food homology materials approved by China’s Ministry of Health has been extensively applied to replenish qi and nourish blood,and it has a positive impact on women’s health.To find out the material basis and mechanism of FEJ,a systematic“compoundeffect-target”analysis including chemical composition resolution,zebrafish,network pharmacology,molecular docking,transcriptome,and bibliometric analysis was adopted.124 chemical components including ginsenosides,and phenylethanoid glycosides in FEJ were discovered,and effects of FEJ on promoting the generation of immune cells,erythropoiesis and angiogenesis in zebrafish were exhibited.Based on network pharmacology,molecular docking and in vivo activity assay,6 compounds including jionoside A1,isoacteoside,echinacoside,acteoside,lobetyolin,and rehmannioside D were identified as active components of FEJ.Transcriptome data showed that several pathways such as complement and coagulation cascades,ECM-receptor interaction,and PI3K-Akt signaling pathway were associated with proangiogenic effect of FEJ.19 common targets were obtained through combined analysis of network pharmacology and transcriptomics,and 5 targets of them were verified by PCR.The bibliometric analysis of these common targets revealed that FEJ was related to energy metabolism,pathway in cancer,etc.,which was consistent with the results of network pharmacology and transcriptome.The studies suggested that FEJ could replenish qi and nourish blood through multi-compound and multi-targets.
文摘目的:采用网络药理学和分子对接技术预测竹沥-生姜配伍治疗中风病的作用靶点,探讨其治疗中风病的潜在分子作用机制和有效物质。方法:利用PubChem、SwissTargetPrediction和UniProt数据库挖掘竹沥-生姜药对的潜在活性成分及药物靶点,通过GeneCards数据库筛选疾病靶点。将药物靶点与疾病靶点匹配所得交集靶点导入STRING构建蛋白质-蛋白质相互作用网络。借助Cytoscape软件筛选关键靶点,将关键靶点与对应成分联系起来绘制网络图,筛选关键成分;对关键靶点进行基因本体论(GO)和京都基因与基因组百科全书(KEGG)富集分析。通过AutoDock软件对关键活性成分与潜在作用靶点进行分子对接验证。结果:筛选得到药组活性成分41个,相关靶点291个,中风病相关靶基因729个,以及竹沥-生姜药对治疗中风病的交集靶点67个。这些交集靶点主要参与细胞炎症反应、细胞活化、细胞免疫反应等过程,并与癌症的途径、脂质与动脉粥样硬化及糖尿病并发症中的晚期糖基化终末产物(Advanced Glycation EndProduct,AGE)-晚期糖基化终末产物受体(Receptor for Advanced Glycation End Products,RAGE)信号通路等相关。分子对接结果显示,竹沥、生姜的主要活性成分与中风病的潜在作用靶点间具有一定的结合活性。结论:竹沥-生姜可通过多成分、多靶点、多通路发挥对中风病的治疗作用。本研究为后续药理机制探索提供方向,为该药对临床应用提供了理论依据。
