摘要
目的:基于网络药理学探讨藤茶黄酮类成分体内的潜在作用靶点及可能干预的疾病。方法:通过文献检索建立藤茶化学成分数据库,运用吸收、分布、代谢、排泄(ADME)筛选藤茶中黄酮类成分;采用PubChem数据库收集藤茶黄酮类成分的潜在作用靶点;采用Metascape数据库对疾病类型、生物过程、通路进行富集分析;运用Cyoscape 3.6.1软件构建“成分-靶点-疾病”网络,预测藤茶黄酮类成分可能干预的疾病。结果:建立藤茶化学成分数据库,收集到136种化合物,运用ADME最终筛选到8个黄酮类成分,对应430个潜在作用靶点。对藤茶黄酮类成分体内潜在的作用靶点进行基因本体(GO)和京都基因与基因组百科全书(KEGG)通路分析。结果显示,其潜在作用靶点涉及调节蛋白激酶活性、氧化应激、炎症等信号通路等。“成分-靶点”“靶点-疾病”等网络图显示,肿瘤坏死因子(TNF)、前列腺素内环氧化物合成酶2(PTGS2)、白细胞介素-1β(IL-1β)、雌激素受体1(ESR1)、蛋白激酶B1(AKT1)、肿瘤蛋白P53(TP53)为藤茶黄酮类成分发挥作用的主要靶点蛋白。结论:藤茶黄酮类成分协同发挥药理作用,体现出藤茶“多成分-多靶点”的特点,可能对肿瘤、神经精神类疾病、肝损伤、代谢类疾病有干预作用。同时发现藤茶对抑郁症、阿尔茨海默病等神经精神类疾病的作用研究较少,值得深入研究与开发。
Objective:To explore the potential target of flavonoids in Ampelopsis grossedentata and possible intervention diseases based on network pharmacology.Methods:A chemical database of A.grossedentata was established through literature search.Absorption,distribution,metabolism and excretion(ADME)was used to screen vine tea active ingredients.Metascape database was used to enrich the A.grossedentata′s disease types,biological processes,and pathways.Cyoscape 3.6.1 was used to construct″compound-target-disease″network diagrams,predicting the diseases that the flavonoids of A.grossedentata may treat.Results:A chemical composition database of A.grossedentata was established,and 136 compounds were collected.Finally,8 flavonoids and 430 potential targets were screened.After GO and KEGG analysis,the biological processes and pathways of the potential target are involved in regulating protein kinase activity,oxidative stress,inflammation and other signaling pathways,compound-target,target-disease and other network diagrams show that tumor necrosis factor(TNF),prostaglandin-endoperoxide synthase 2(PTGS2),interleukin-1β(IL-1β),estrogen receptor 1(ESR1),AKT1 and tumor protein P53(TP53)are the main target proteins for the flavonoids of A.grossedentata.Conclusion:Flavonoids of A.grossedentata play a synergistical role in pharmacology,reflecting the characteristics of A.grossedentata″multi-compound,multi-target″.The flavonoids of rattan tea may have an intervention effect on tumors,neuropsychiatric diseases,liver injury,and metabolic diseases.At the same time,it is found that there is less research about effect of A.grossedentata on neuropsychiatric diseases such as depression and Alzheimer′s disease,which is worthy of further research and development.
作者
孙晓媛
李洪祥
马培
宋颜君
高宇
许利嘉
肖培根
SUN Xiao-yuan;LI Hong-xiang;MA Pei;SONG Yan-jun;GAO Yu;XU Li-jia;XIAO Pei-gen(Institute of Medicinal Plant Development,Chinese Academy of Medical Science,Peking Union Medical College,Beijing 100193,China;Institute of Materia Medica,Chinese Academy of Medical Science,Peking Union Medical College,Beijing 100193,China;Key Laboratory of Bioactive Substances and Resources Utilization of Chinese Herbal Medicine,Ministry of Education,Beijing 100193,China)
出处
《中国现代中药》
CAS
2021年第1期62-72,共11页
Modern Chinese Medicine
基金
中国医学科学院医学与健康科技创新工程(2016-I2M-2-003)
北京协和医学院学科建设项目(清华211-201920100902)
广西科技基地和人才专项(桂科AD17129044)。
关键词
藤茶
网络药理学
作用靶点
干预疾病
Ampelopsis grossedentata(Hand.-Mazz.)W.T.Wang
network pharmacology
potential target
intervention disease
