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基于生物信息学的中药调控糖酵解用药规律探究及实验验证

Medication Rules of Chinese Medicines in Regulating Glycolysis Based on Bioinformatics Method and Experimental Verification
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摘要 目的:探究调节糖酵解的中药活性成分及用药规律。方法:基于GeneCards数据库获得与糖酵解有关靶点,DAVID数据库分析靶点参与的生物学过程及信号通路。将靶点信息导入中药系统药理学数据库与分析平台(TCMSP)获取其对应的活性成分和中药,构建糖酵解“靶点-活性成分-中药”网络,并统计药物性味归经及功效,分析调节糖酵解的中药用药规律。最后采用细胞实验验证丹参、黄芪对胃癌前病变细胞(MC)中糖酵解相关蛋白表达的影响。结果:获得24个糖酵解相关靶点,与238种活性成分及337种中药相匹配。其中槲皮素、山柰酚、木犀草素等可能是干预糖酵解的主要有效成分,甘草、钩藤、丹参等可能是干预糖酵解的主要中药。用药规律分析显示,药性以寒、温为多;药味以苦、甘为主;归经以肝经、肺经居多;功效以清热药、补虚药等为主。实验结果表明,丹参、黄芪均可降低MC细胞糖酵解相关蛋白缺氧诱导因子-1α(HIF-1α)、葡萄糖转运蛋白1(GLUT1)、己糖激酶2(HK2)、丙酮酸激酶M2型(PKM2)、乳酸脱氢酶A(LDHA)的表达。结论:本研究通过生物信息学方法分析得到了调控糖酵解的活性成分及中药用药规律,以期为治疗与糖酵解相关疾病提供组方用药思路,并为相关中药新药研发及机制研究等提供一定参考。 Objective:To explore the active components of Chinese medicines(TCM)in regulating glycolysis and their medication rules.Methods:Relevant targets associated with glycolysis were obtained from the GeneCards database.The DAVID database was used to analyze the biological processes and signaling pathways involving these targets.Target information was then imported into the Traditional Chinese Medicine System Pharmacology Database and Analysis Platform(TCMSP)to identify corresponding active components and Chinese medicines,and a“target-active component-Chinese medicine”network was constructed.The properties,flavors,meridian tropism,and effects of these Chinese medicines were statistically analyzed to determine medication rules for regulating glycolysis.Finally,cell experiments were conducted to verify the effects of Salviae Miltiorrhizae Radix et Rhizoma and Astragali Radix on the expression of glycolysis-related proteins in gastric cancer precursor cells(MC).Results:A total of 24 glycolysis-related targets were identified,matching 238 active components and 337 Chinese medicines.Key effective components that may intervene in glycolysis include quercetin,kaempferol,and luteolin,while major Chinese medicines identified include Glycyrrhizae Radix et Rhizoma,Uncariae Ramulus cum Uncis,and Salviae Miltiorrhizae Radix et Rhizoma.The analysis of medication rules revealed that the medicinal properties were predominantly cold or warm;the flavors were mainly bitter or sweet;these Chinese medicines primarily acted on the liver and lung meridians;the main effects were clearing heat and tonifying deficiency.Experimental results indicated that both Salviae Miltiorrhizae Radix et Rhizoma and Astragali Radix significantly reduced the expression of glycolysis-related proteins,including hypoxia-inducible factor-1α(HIF-1α),glucose transporter 1(GLUT1),hexokinase 2(HK2),pyruvate kinase M2(PKM2),and lactate dehydrogenase A(LDHA)in MC cells.Conclusion:This study utilized bioinformatics method to identify active components and medication rules of Chinese medicines in regulating glycolysis,aiming to provide insights for formulating treatments for glycolysis-related diseases,as well as reference for the development of new Chinese medicines and mechanistic studies.
作者 刘珊 李璇 尹晓岚 王萍 王凤云 唐旭东 LIU Shan;LI Xuan;YIN Xiaolan;WANG Ping;WANG Fengyun;TANG Xudong(Institute of Digestive Diseases,Xiyuan Hospital,China Academy of Chinese Medical Sciences,Beijing 100091,China)
出处 《世界中医药》 CAS 北大核心 2024年第18期2762-2770,共9页 World Chinese Medicine
基金 国家自然科学基金面上项目(82274511) 中国中医科学院科技创新工程(CI2021A01004) 提升高水平中医医院临床研究和成果转化能力试点建设项目(XYZX0204-03)。
关键词 糖酵解 生物信息学 网络药理学 数据挖掘 活性成分 中药 用药规律 Glycolysis Bioinformatics Network pharmacology Data mining Active ingredient Chinese medicine Medication rule
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