摘要
目的基于网络药理学分析土茯苓治疗发热的作用机制。方法使用TCMSP数据库,OB、DL为指标筛选土茯苓的活性成份及靶点,使用uniprot数据库转换为基因Symbol,genecard获取疾病相关基因并与土茯苓靶基因取交集,string网站构建蛋白互作网络,使用R软件进行GO和KEGG分析,Autodock Vina软件进行分子对接。结果土茯苓12个活性成份、对应145条基因Symbol。共有5个核心成份和5个发热核心靶点。土茯苓或可调节机体对外界刺激的反应、EGFR抑制剂的耐药等,分子对接验证核心成份和核心靶点具有强烈亲和力。结论柚皮素、β-谷甾醇、槲皮素、薯蓣皂苷元、豆甾醇为土茯苓治疗发热的物质基础,主要作用靶点为IL-6、EGFR、CASP3、MYC和VEGFA。
Objective We analyzed the mechanism of action of glabrous greenbrier rhizome in the treatment of fever based on network pharmacology.Methods We screened for the active components and targets of Poria cocos using the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP,https://tcmspw.com/tcmsp.php),with Oral bioavailability(OB)and Drug-likeness(DL)as indicators.We used the UniProt database to convert discovered entries to respective gene symbols,and then GeneCards to obtain disease-related information that intersects with glabrous greenbrier rhizome target genes.We then constructed a protein interaction network using the STRING(Search Tool for the Retrieval of Interacting Genes/Proteins)Web resource and R software for Gene Ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)analysis.AutoDock Vina software was used for molecular docking modeling simulations.Results Twelve active ingredients of Poria cocos,corresponding to 145 gene symbols were discovered in our analyses.Of these,five are core components of glabrous greenbrier rhizome and another five are fever core targets.glabrous greenbrier rhizome may affect regulation of the body’s response to external stimuli and resistance to EGFR inhibitors.Molecular docking simulations show a strong affinity for the core components and core targets.Conclusions Naringenin,β-sitosterol,quercetin,diosgenin,and stigmasterol are the primary core components of glabrous greenbrier rhizome treatment,and the main targets are IL-6,EGFR,CASP3,MYC,and VEGFA.
作者
徐炎
韩晶
任晓婷
王雷
王钇杰
刘良
姚博
王中天
孙丽平
XU Yan;HAN Jing;REN Xiaoting;WANG Lei;WANG Yijie;LIU Liang;YAO Bo;WANG Zhongtian;SUN Liping(Changchun University of Chinese Medicine,Changchun 130117,China;Affiliated Hospital of Changchun University of Chinese Medicine,Changchun 130021)
出处
《中国比较医学杂志》
CAS
北大核心
2020年第10期70-77,共8页
Chinese Journal of Comparative Medicine
基金
国家重点研发计划(2017YFC1703202)
中医药传承与创新“百千万”人才工程(岐黄工程)王烈国医大师传承工作室(2019-1243)
吉林省中医药科技项目(2019023)
吉林省卫生计生委科技项目(2018J106)。
关键词
网络药理学
国医大师王烈
土茯苓
发热
network pharmacology
Chinese medicine master Wang Lie
bandit
fever
