清肝利胆口服液化学成分的鉴定及网络药理学法探讨其作用机制

目的：对清肝利胆口服液中的化学成分进行鉴定，探索其保肝利胆的作用机制。方法：采用超高效液相色谱-四级杆-飞行时间质谱（UPLC-Q-TOF-MS/MS）法鉴定清肝利胆口服液中所含的化学成分；利用TCMSP、TTD等数据库获得所得成分和疾病分别相对应的靶点信息；通过生物信息学技术富集涉及的相关通路及生物过程，并运用Cytoscape软件进行构图。结果：鉴定出清肝利胆口服液成分22种，成分作用靶点548个，疾病靶点454个，主要作用通路5条。结论：清肝利胆口服液中化学成分可以通过UPLC-Q-TOF-MS/MS法进行简便、快速定性分析，而其发挥保肝利胆的作用可能与抗炎、免疫调节、细胞色素P450代谢和血糖调节相关。

Identification of the chemical constituents and network pharmacology-based study on mechanisms of Qinggan Lidan mixture

OBJECTIVE To identify the chemical constituents in Qinggan Lidan mixture and explore its potential hepatoprotective mechanism.METHODS UPLC-Q-TOF-MS/MS was performed to identify the chemical constituents in Qinggan Lidan mixture;TCMSP, TTD and other databases were used to obtain the target information corresponding to the obtained components and diseases, respectively;the related pathways and biological processes involved were enriched by bioinformatics techniques and were mapped using Cytoscape software.RESULTS Twenty-two constituents of Qinggan Lidan mixture were identified, which contained 548 effect targets for drug compositions and 454 related targets for disease and 5 main signal pathways.CONCLUSION The chemical constituents in Qinggan Lidan mixture can be analyzed by UPLC-Q-TOF-MS/MS in a simple, rapid and qualitative way, and its role in protecting liver and gallbladder may be related to anti-inflammatory, immune regulation, cytochrome P450 metabolism and blood glucose regulation.