摘要
目的:以甘草黄酮类成分预测其作用靶点和药效作用,构建甘草黄酮多成分-多靶点网络。方法:依托中药系统药理学分析平台(traditional Chinese medicine systems pharmacology database and analysis platform,TCMSP)检索甘草的化学成分,把口服生物利用度(oral bioavailability,OB)≥50%和类药性(drug likeness,DL)≥0.18作为筛选条件,并根据分子结构筛选黄酮类成分;通过TCMSP和Swiss Target Prediction数据库获取黄酮类活性成分的相关靶点。通过UniProt数据库提取作用靶点的基因名称,并利用生物学信息注释数据库(database for annotation,visualization and integrated discovery,DAVID)对靶点进行相关通路富集。最后用Cytoscape 3.2.0软件构建"成分-靶点"和"靶点-通路"网络图。结果:筛选得到28个黄酮类活性成分,可作用于97个潜在靶点和61条相关通路,涉及抗肿瘤、抗炎、内分泌调节和氨基酸代谢等多个环节,预测结果得到文献印证。结论:通过网络药理学验证了甘草黄酮多成分、多靶点、多通路的作用特点,为系统研究甘草活性成分药效作用及机制提供了参考。
Objective:To construct the multi-component and multi-target network of Licorice Flavonoids by predicting the target and efficacy of Licorice Flavonoids.Methods:Based on the traditional Chinese medicine systems pharmacology database and analysis platform(TCMSP),the chemical components of Gancao(Licorice)were searched.The oral bioavailability(OB)≥50%and drug likeness(DL)≥0.18 were selected as the screening conditions,and the flavonoids were screened according to the molecu-lar structure.Through TCMSP and Swiss Target Prediction database,the related targets of flavonoids were obtained.The gene name of the target was extracted by UniProt database,and the target was enriched by the database for annotation,visualization and inte-grated discovery(DAVID).Finally,the network diagram of"composition-target"and"target-pathway"is constructed with the software of Cytoscape 3.2.0.Results:28 flavonoid active components were screened,which can act on 97 potential targets and 61 related pathways,involving anti-tumor,anti-inflammatory,endocrine regulation and amino acid metabolism,and the predicted re-sults were confirmed by literature.Conclusion:The characteristics of multi-component,multi-target and multi-channel action of gly-cyrrhizin were verified by network pharmacology,which provided a reference for the systematic study of the pharmacodynamics and mechanism of active components of Gancao(Licorice).
作者
王晓艳
李伟霞
张辉
张明亮
张书琦
王炎
唐进法
WANG Xiaoyan;LI Weixia;ZHANG Hui;ZHANG Mingliang;ZHANG Shuqi;WANG Yan;TANG Jinfa(The First Affiliated Hospital to Henan University of Chinese Medicine,Zhengzhou Henan China 450000;Henan University of Chinese Medicine,Zhengzhou Henan China 450046)
出处
《中医学报》
CAS
2020年第1期155-163,共9页
Acta Chinese Medicine
基金
国家自然科学基金项目(81803702)。
关键词
甘草
黄酮类
网络药理学
药效
成分-靶点
靶点-通路
Gancao(Licorice)
flavonoids
network pharmacology
pharmacodynamics
composition-target
target-pathway
