基于网络药理学预测金钱草治疗泌尿系结石的作用机制  

Prediction of Herba Lysimachiae for Treatment of Urinary Calculus by Network Pharmacology

作　　者：黄丽[1] 孙晓静 孙治中 陈慧玲 谢建兴[2] 崔学教[2] HUANG Li;SUN Xiao-Jing;SUN Zhi-Zhong;CHEN Hui-Ling;XIE Jian-Xing;CUI Xue-Jiao(The First Clinical Medical School,Guangzhou University of Chinese Medicine,Guangzhou 510405 Guangdong,China;The First Affiliated Hospital,Guangzhou University of Chinese Medicine,Guangzhou 510405 Guangdong,China)

机构地区：[1]广州中医药大学第一临床医学院,广东广州510405 [2]广州中医药大学第一附属医院,广东广州510405

出　　处：《广州中医药大学学报》2020年第11期2174-2179,共6页Journal of Guangzhou University of Traditional Chinese Medicine

基　　金：国家中医药管理局全国名老中医专家崔学教传承工作室[编号:国中医药人教发(2016)42号]。

摘　　要：【目的】基于网络药理学预测金钱草治疗泌尿系结石的作用机制。【方法】通过中药系统药理学技术平台(TCMSP)检索金钱草化学成分,通过SwissTargetPrediction数据库得到金钱草的预测靶点,通过GeneCards数据库获取泌尿系结石相关靶点,将金钱草的预测靶点与泌尿系结石相关靶点进行映射得到金钱草治疗泌尿系结石的预测靶点。通过Cytoscape 3.6.0软件,生成金钱草治疗泌尿系结石的蛋白质相互作用(PPI)网络。通过DAVID网站京都基因与基因组百科全书(KEGG)通路分析,运用systems Dock网站对预测靶标与其对应的成分进行分子对接。【结果】金钱草活性化合物有9种,筛选出金钱草可能与泌尿系结石相关的靶点21个,关键靶点共8个,包括表皮生长因子受体(EGFR)、雌激素受体α(ESRα)、醛糖还原酶(AR)、表皮生长因子受体2(ERBB2)等。通过KEGG通路分析得到126条通路,结合文献检索,筛选出金钱草治疗泌尿系结石的可能通路为8条,主要分两类:①泌尿系炎症及黏膜相关通路:磷脂酰肌醇-3-激酶/丝苏氨酸蛋白激酶(PI3K/Akt)信号通路、血趋化因子信号通路、核因子E2相关因子2/Kelch样环氧氯丙烷相关蛋白1(Nrf2/Keap1)信号通路、p38丝裂原活化蛋白激酶(P38MAPK)信号通路、酪氨酸激酶/信号转导和转录激活子(JAK/STAT)信号通路等;②尿钙相关通路:核因子κB(NF-κB)信号通路、辣椒素受体5(TRPV5)信号通路。【结论】金钱草治疗泌尿系结石的作用机制可能与调节炎症及黏膜相关通路、尿钙相关通路有关,但对已有结石成分破坏及分解尚无明确结论。Objective To predict the mechanism of Herba Lysimachiae for the treatment of urinary calculus by network pharmacology.Methods The chemical components of Herba Lysimachiae were searched from Traditional Chinese Medicine Systems Pharmacology Database(TCMSP),the predicted targets were obtained from SwissTargetPrediction database,and the urinary calculus-related targets were obtained from GeneCards database,and then the predicted targets of Herba Lysimachiae were mapped to the urinary calculus-related targets to obtain the predicted targets of Herba Lysimachiae treatment for urinary calculus.The network of protein-protein interaction(PPI)in Herba Lysimachiae treatment for urinary calculus was generated by Cytoscape 3.6.0 software.In DAVID website Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway analysis was used to predict the targets and its corresponding components for molecular docking in systems Dock website.Results There were 9 kinds of active compounds in Herba Lysimachiae,21 targets related to urinary calculus,and 8 key targets including epidermal growth factor receptor(EGFR),estrogen receptorα(ESRα),aldose reductase(AR),v-erbb2 avian erythroblastic leukemia viral oncogene homolog 2(ERBB2)and so on.A total of 126 channels are obtained through the analysis of KEGG pathway,and then there were 8 possible pathways in the treatment of urinary calculus,which were divided into two categories:①urinary tract inflammation and mucous membrane related pathways:phosphatidylinositol-3-kinase/threonine protein kinas(PI3 K/Akt)signaling pathway,Chemokine signaling pathway,nuclear factor E2 related factor 2/Kelch like epichlorohydrin related protein 1(Nrf2/Keap1)signaling pathway,p38 mitogen-activated protein kinase(P38 MAPK)signaling pathway,Janus kinase-signal transducer and activator of transcription(JAK/STAT)signaling pathway and so on;②urine calcium related pathways:nuclear factor kappa B(NF-κB)signaling pathway and transient receptor potential vanilloid receptor 5(TRPV5)signaling pathway.Conclusion Herba Lysim

关 键 词：金钱草 泌尿系结石 网络药理学 活性化合物 靶点 调节炎症及黏膜相关通路 尿钙相关通路 

分 类 号：R285.5[医药卫生—中药学]