摘要
目的通过生物信息大数据对逍遥散治疗肝纤维化的活性成分和分子作用机制进行探讨和研究。方法通过TCMSP数据库和PharmMapper服务器,以口服生物利用度和类药性为限定条件对逍遥散所含化学成分进行筛选并预测作用靶点;并通过CTD、TTD及OMIM等数据库搜集肝纤维化相关靶点,然后进行网络合并获取逍遥散治疗肝纤维化的作用靶标,利用Cytoscape 3.6.1软件构建成分-靶点-通路网络、成分靶点相互作用网络和肝纤维化相关靶点蛋白相互作用网络,通过DAVID在线分析工具和KOBAS 3.0软件对靶标进行基因本体(GO)功能富集分析和KEGG通路分析。结果虚拟实验预测逍遥散有164个化合物和2492个靶点,通过网络合并最终确定了863个逍遥散治疗肝纤维化的候选靶标,其中对肝纤维化显示主要作用的包括关键靶点ALB、TOP2A、INS、HSP90AA1、EP300等以及主要成分naringenin、uteolin、sorhamnetin、kaempferol、petunidin、Gancaonin主要参与调控Tyrosine metabolism、Cysteine and methionine metabolism等信号通路。结论逍遥散抗肝纤维化的主要活性成分包括naringenin、uteolin、sorhamnetin、kaempferol、petunidin、Gancaonin;其作用机制可能与Tyrosine metabolism、Bladder cancer、Cysteine and methionine metabolism等信号通路关系密切,通过调节RNA转录和DNA复制、细胞增殖与凋亡,释放细胞因子和趋化因子等,从而影响逍遥散抗肝纤维化的作用。
Objective To study the active components and molecular mechanism of Xiaoyao Powder(逍遥散)treating liver fibrosis based on bioinformatics data.Methods TCMSP database and Pad Mapper server were used to screen the chemical constituents of Xiaoyao Powder and predict the action targets with oral bioavailability and drug-like properties as the restriction conditions,and CTD,TTD and OMIM databases were used to collect the relevant targets of liver fibrosis,and then to carry out the screening.Cytoscape 3.6.1 software was used to construct component-target-pathway network,component-target interaction network and liver fibrosis-related target protein interaction network.The target gene ontology(GO)set analysis was enriched by DAVID online analysis tool and KEGG path analysis was carried out by KOBAS 3.0 software.Results The virtual experiment predicted that there were 164 compounds and 2492 targets in Xiaoyao Powder.Through network merging,863 candidate targets of Xiaoyao Powder for the treatment of liver fibrosis were identified.Among them,the key targets ALB,TOP2 A,INS,HSP90 AA1,EP300 and the main components naringenin,uteolin,sorhamnetin,kaempferol,petunidin and Gancaonin were the main targets for the display of liver fibrosis.Naringenin,uteolin,sorhamnetin,kaempferol,petunidin and Gancaonin were involved in regulating signal pathways such as Tyrosine metabolism,Cysteine and methionine metabolism.Conclusion The main active components of Xiaoyao Powder in the treatment of liver fibrosis include naringenin,uteolin,sorhamnetin,kaempferol,petunidin and Gancaonin,and its mechanism may be closely related to signal pathways such as Tyrosine metabolism,Cysteine and methionine metabolism.Through regulating RNA transcription and DNA replication,cell proliferation and apoptosis,and releasing cytokines and chemokines,it affects the role of Xiaoyao Powder on liver fibrosis.
作者
余学竟
赖国权
韦翠
吴玉箫
刘雪冰
刘谢
盛庆寿
YU Xuejing;LAI Guoquan;WEI Cui;WU Yuxiao;LIU Xuebing;LIU Xie;SHENG Qingshou(Guangxi University of Traditional Chinese Medicine,Nanjing 530011,Guangxi,China;Shenzhen Hospital of Beijing University of Chinese Medicine,Shenzhen 518116,Guangdong,China)
出处
《中华中医药学刊》
CAS
北大核心
2021年第1期110-114,I0036,I0037,I0038,共8页
Chinese Archives of Traditional Chinese Medicine
基金
国家“十二五”科技重大专项(2014ZX10005001)
广西自然科学基金(2012GXNSFAA053115)。
关键词
逍遥散
肝纤维化
网络药理学
作用机制
Xiaoyao Powder(逍遥散)
liver fibrosis
network pharmacology
mechanism of action
