基于网络药理学和分子对接工具探究田基黄注射液抗病毒性肝炎的活性成分及作用机制  

Active components and mechanism of Tian-Ji-Huang injection against viral hepatitis based on network pharmacology and molecular docking

作　　者：胡萍 童周 肖雪洋 孔璐琦 胡琳珍 HU Ping;TONG Zhou;XIAO Xueyang;KONG Luqi;HU Linzhen(Hubei Provincel Key Laboratory of Biotechnology of Chinese Traditional Medicine,School of Life Sciences,Hubei University,Wuhan 430062,China)

机构地区：[1]湖北大学生命科学学院,湖北大学中药生物技术湖北省重点实验室,湖北武汉430062

出　　处：《湖北大学学报（自然科学版）》2022年第5期602-608,共7页Journal of Hubei University：Natural Science

基　　金：国家自然科学基金(31700298)资助。

摘　　要：运用网络药理学方法,筛选田基黄注射液的主要活性成分,对活性成分和疾病靶点进行预测和重叠;通过构建“活性化合物-靶点-通路”网络,并通过GO和KEGG分析,探讨田基黄治疗病毒性肝炎可能与Rap1信号通路、Ras信号通路和PI3K-AKT信号通路有关;采用DiscoveryStudio2020对活性化合物和靶点进行虚拟对接,结果显示活性化合物与MET、EGFR、AKT1和MAPK1靶点有较好的亲和力.本研究通过运用网络药理学和分子对接工具,对田基黄注射液抗病毒性肝炎的活性成分及作用机制进行探索,为进一步深入研究奠定理论基础和研究方向.In this study,the main active components of Tian-Ji-Huang injection were screened by the method of network pharmacology,the active components and disease targets were predicted and overlapped.Through the construction of“active compound-target-pathway”network and GO and KEGG analysis,we discussed that Tian-Ji-Huang’s treatment of viral hepatitis could be related to Rap1 signal pathway,Ras signal pathway and PI3 K-AKT signal pathway.The virtual docking between active compounds and targets by DiscoveryStudio2020 showed that compounds had good affinity with MET,EGFR,AKT1 and MAPK1 targets.Using network pharmacology and molecular docking tools for exploring the active components and mechanism of Tian-Ji-Huang injection against viral hepatitis,afforded a theoretical foundation and research direction for further research in the future.

关 键 词：网络药理学 田基黄注射液 病毒性肝炎 分子对接 

分 类 号：R284[医药卫生—中药学]