摘要
目的:通过网络药理学联合分子对接技术探讨护肝片联合抗感颗粒治疗EB病毒(Epstein-Barr virus,EBV)肝损伤的分子机制。方法:利用TCMSP、HERB数据库和Swiss Target Prediction平台筛选和预测护肝片联合抗感颗粒的活性成分及潜在靶点。通过GeneCards数据库检索EBV肝损伤的相关基因。运用Cytoscape 3.9.1软件构建药物活性成分-靶点网络,并筛选出关键成分。对护肝片联合抗感颗粒治疗EBV肝损伤的潜在作用靶点进行GO及KEGG通路富集分析,并将其导入STRING平台,构建PPI网络,利用MCC和MNC算法筛选出核心靶点。最后,利用CB-Dock对关键成分与核心靶点进行分子对接。结果:共收集护肝片联合抗感颗粒的活性成分96个,护肝片联合抗感颗粒治疗EBV肝损伤的作用靶点57个。GO和KEGG通路富集分析结果主要与细胞因子受体结合、细胞因子活性、人巨细胞病毒感染等功能和通路相关。分子对接结果证实核心靶点STAT3、AKT1、JUN、TP53能稳定地与关键成分槲皮素、山柰酚、木犀草素、金合欢素、异鼠李素结合。结论:护肝片联合抗感颗粒主要通过槲皮素、山柰酚、木犀草素、金合欢素和异鼠李素等关键成分作用于STAT3、AKT1、JUN和TP53等核心靶点,参与细胞因子相关生物细胞过程的调节,最终起到治疗EBV肝损伤的作用。
Objective:To investigate the molecular mechanism of liver protection tablets combined with anti-sense granules for the treatment of Epstein-Barr virus(EBV)liver injury by network pharmacology combined with molecular docking technique.Methods:The TCMSP,HERB database and Swiss Target Prediction platform were utilized to screen and predict the active ingredients and potential targets of Liver Protecting Tablets combined with Anti-Sense Granules.The GeneCards database was used to search for genes related to EBV liver injury.Cytoscape 3.9.1 software was utilized to construct the active ingredient-target network of the drug and screen the key ingredients.The potential targets of liver protection tablets combined with anti-sense granules for the treatment of EBV liver injury were analyzed by GO and KEGG pathway enrichment,and imported into the STRING platform to construct a PPI network,and the core targets were screened using the MCC and MNC algorithms.Finally,CB-Dock was utilized to perform molecular docking between key components and core targets.Results:A total of 96 active ingredients of liver protecting tablets combined with anti-sense granules were collected,and 57 targets of action of liver protecting tablets combined with anti-sense granules for the treatment of EBV liver injury were identified.The results of GO and KEGG pathway enrichment analysis were mainly related to cytokine receptor binding,cytokine activity,and human cytomegalovirus infection,etc.Molecular docking results confirmed that the core targets STAT3,AKT1,JUN,and TP53 could stably bind to the core components quercetin,kaempferol,luteolin,acacetin,and isorhamnetin.Conclusion:Liver protection tablets combined with anti-sense granules mainly act on the core targets of STAT3,AKT1,JUN and TP53 through the key components of quercetin,kaempferol,lignocerotoxin,chrysin and isorhynchophyll,which are involved in the regulation of cytokine-related biological cellular processes,and ultimately play a role in the treatment of EBV liver injury.
作者
张馨慧
刘松涛
王先滨
王海
Zhang Xinhui;Liu Songtao;Wang Xianbin(The First Clinical Medical College,Heilongjiang Uni-versity of Traditional Chinese Medicine,Harbin,Heilongjiang 150006,China)
出处
《黑龙江医学》
2024年第3期376-382,共7页
Heilongjiang Medical Journal
基金
黑龙江省中医药管理局中医药科研课题(ZHY2022-170)。
关键词
护肝片
抗感颗粒
EB病毒
肝损伤
网络药理学
分子对接
通路
靶点
Liver protection tablets
Antisense granules
EBV
Liver injury
Network pharmacology
Molecular docking
Path-ways
Targets
