基于网络药理学探讨舒肝宁注射液治疗乙型病毒性肝炎的作用机制

目的 基于网络药理学和分子对接技术探究舒肝宁注射液治疗乙型病毒性肝炎的网络调控机制。方法 选取舒肝宁注射液中19个代表性化学成分为研究对象，通过TCMSP、Swiss Target Prediction数据库，获得化合物潜在作用靶点。利用DisGeNET、GeneCards数据库检索乙型病毒性肝炎的疾病相关靶点，利用Venny平台获取化合物作用靶点与疾病靶点的交集靶点为舒肝宁注射液治疗乙型病毒性肝炎潜在作用靶点。进一步对靶蛋白进行蛋白相互作用（PPI）网络分析、Cluster模块分析、基因本体（GO）、京都基因与基因组百科全书（KEGG）分析。在PPI核心靶点网络分析基础上进一步通过分子对接方法验证网络药理结果。结果 获得19个成分的173个舒肝宁注射液治疗乙型病毒性肝炎的潜在作用靶点，并可作用于SRC、HSP90AA1、ERS1、PIK3CA、HRAS等核心靶点，调节乙型病毒性肝炎、丙型病毒性肝炎、VEGF、TNF、PI3K/Akt等信号通路。分子对接结果表明，舒肝宁注射液与乙型病毒性肝炎信号通路关联的活性成分与相关靶点可自发结合。结论 舒肝宁注射液治疗乙型病毒性肝炎的机制可能是通过多组分多靶点干预乙型肝炎信号通路起作用。

Mechanism of Shuganning Injection in treatment of hepatitis B based on network pharmacology

Objective To explore the mechanism of Shuganning Injection in treatment of hepatitis B by using network pharmacology and molecular docking. Methods Nineteen representative chemical components of Shuganing Injection were selected as research objects, and the potential target of the compound was obtained through TCMSP and Swiss Target Prediction database. DisGeNET and GeneCards databases were used to retrieve disease-related targets of viral hepatitis B, and the intersection targets of compound and disease targets were obtained by Venny platform as potential targets of Shuganing Injection in treatment of viral hepatitis B. PPI network analysis, Cluster module analysis, GO, KEGG analysis were further performed for target proteins. On the basis of PPI core target network analysis, the network pharmacological results were further verified by molecular docking method. Results 173 Potential targets of Shuganing Injection from 19 components were obtained for the treatment of viral hepatitis B, and it could act on SRC, HSP90AA1, ERS1, PIK3CA, HRAS, and other core targets, and regulate the signaling pathways of viral hepatitis B, viral hepatitis C, VEGF, TNF, PI3K/Akt, etc. The results of molecular docking showed that the active ingredients associated with the signaling pathway of Shuganing Injection and viral hepatitis B could spontaneously bind to related targets. Conclusion The mechanism of Shuganing Injection in treatment of viral hepatitis B may be through multi-component and multi-target intervention of hepatitis B signaling pathway.