机构地区:[1]西藏大学医学院,西藏拉萨850000 [2]西藏奇正藏药股份有限公司,西藏拉萨850000
出 处:《中国民族医药杂志》2021年第12期54-59,共6页Journal of Medicine and Pharmacy of Chinese Minorities
基 金:国家自然科学基金地区科学基金项目(81960727);西藏自治区科技计划项目(XZ201901-GA-01);西藏大学2019年中央支持地方高校改革发展资金项目(00060472);西藏大学科研培育基金项目(ZDCZJH19-15)。
摘 要:目的:探寻藏药手掌参主要活性成分及其抗缺氧机制。方法:在化源网检索手掌参的化学成分,并查找文献进行补充,剔除重复成分,用SwissADME平台筛选出活性成分。在Swiss target prediction数据库中对活性成分进行靶点预测并筛选出主要活性成分及其靶点,于GeneCards平台获得抗缺氧的靶点,筛选出共同靶点,作为手掌参抗缺氧的潜在靶点。在String平台构建靶蛋白相互作用网络图,采用Cytoscape 3.6.2构建"手掌参主要活性成分-抗缺氧靶点"网络图,并用"Network Analyzer"插件对网络的拓扑性质进行分析。用Cytoscape3.6.2中的"CytoNCA"插件获得手掌参抗缺氧核心靶点,采用Metascape数据库对手掌参抗缺氧靶点进行GO分析和KEGG通路富集分析,用微生信在线工具对GO、KEGG结果进行绘制。结果:筛选得到手掌参主要活性成分共有20个,即Isobergapten;Bergamottin;6′,-7′-Dihydroxybergamottin;Toddacoumaquinone;Epi-Tulipinolide等,主要活性成分靶点为281个,抗缺氧的潜在靶点为304个,筛选得到手掌参抗缺氧的共同靶点为43个,核心靶点12个。主要通路为内分泌阻力(Endocrine resistance),癌症中的小分子核糖核酸(MicroRNAs in cancer), AGE-RAGE糖尿病并发症的信号通路(AGE-RAGE signaling pathway in diabetic complications),前列腺癌(Prostate cancer),流体剪切应力与动脉粥样硬化(Fluid shear stress and atherosclerosis)等。结论:本研究通过网络药理学的方法,发现手掌参通过多成分、多靶点实现抗缺氧的过程,主要活性成分通过作用于H1F1A、TNF、MTOR等靶点起到抗缺氧的作用。Objective:To obtain the main active ingredients of Tibet medicine Gymnadenia conopsea(L.)R.Br and study the mechanism of anti-hypoxia. Methods:The chemical components of Gymnadenia conopsea(L.)R.Br were searched on“www.chemsrc.com”,and the literatures was searched for supplementation,next overlapped components were removed. Then the active ingredients were screened using SwissADME. Target prediction of active ingredients in Swiss target prediction finally selected main active ingredients and their targets. Next we obtained the targets of anti-hypoxia on GeneCards,and screened out the common targets as potential targets in anti-hypoxia of Gymnadenia conopsea(L.)R.Br. A target protein interaction network was built on String,and using Cytoscape3.6.2 a network of the main active ingredients of Gymnadenia conopsea(L.)R.Br-anti-hypoxia targets was established, and the "network analyzer" plugin was utilized to analyze the topological properties of the network,the "CytoNCA" plugin in Cytoscape 3.6.2 was applied to obtain the Gymnadenia conopsea(L.)R.Br anti-hypoxia core target Point. To enrich the GO and KEGG pathway of Gymnadenia conopsea(L.) R. Br anti-hypoxia targets with Metascape,and draw the GO and KEGG results using Bioinformatics online tools. Results:There are 20 main active ingredients of Gymnadenia conopsea(L.)R.Br for anti-hypoxia were found,such as Isobergapten,Bergamottin;6′,-7′-Dihydroxybergamottin;Toddacoumaquinone;Epi-Tulipinolide etc. The main 281. active ingredient targets of Gymnadenia conopsea(L.)R.Br. Compared with 304 potential targets for anti-hypoxia, 43 common targets and 12 core targets for Gymnadenia conopsea(L.)R.Br anti-hypoxia were screened. The main pathways are Endocrine resistance,MicroRNAs in cancer,AGE-RAGE signaling pathway in diabetic complications,AGE-RAGE signaling complications in Prostate cancer,Fluid shear stress and atherosclerosis(fluid shear stress and atherosclerosis),etc. Conclusion:By network pharmacology,this study initially summarized the anti-hypoxia process of
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