三七化学成分分析及其抗炎机制的网络药理学探讨

目的 利用超高效液相色谱与四极杆飞行时间质谱联用（ultra performance liquid chromatography quadrupole-time-of-flight hybrid mass spectrometry,UPLC-Q-TOF-MS）分析三七的主要化学成分,运用网络药理学研究三七抗炎的多成分、多靶标、多途径作用机制。方法 通过UPLC-Q-TOF-MS分析三七的主要化学成分,使用DAVID数据库进行基因本体论（Gene Ontology,GO）分析和京都基因与基因组百科全书（Kyoto Encyclopedia of Genesand Genomes,KEGG）通路分析,并运用Cytoscape 3.6.1软件绘制网络互作图,Image GP工具绘制GO气泡图。结果 研究得到人参皂苷Rh₁、人参皂苷Rg₁、月桂酸单甘油酯（monolaurin）等22个关键抗炎作用的活性成分和表皮生长因子受体（EGFR）、信号传导蛋白和转录激活物3（STAT3）、丝裂原活化蛋白激酶-14（MAPK14）等31个关键靶点。GO、KEGG通路富集分析发现,三七可能主要通过人参皂苷Rh₁、人参皂苷Rg₁、月桂酸单甘油酯、β-胡萝卜苷（β-daucosterol）和人参环氧炔醇（panaxydol）等活性成分,作用于EGFR、STAT3、MAPK14、白介素-2（IL-2）等靶点,调节癌症信号通路（Pathways in cancer）、细胞因子受体相互作用（Cytokine-cytokine receptor interaction）、突触细胞黏附分子（CAMs）等信号通路发挥抗炎作用。结论 三七抗炎体现了多成分、多靶点、多途径的特点,为进一步开展三七抗炎作用药效物质基础和作用机制研究提供了新的思路和方法。

Study on chemical constituents of Notoginseng Radix et Rhizoma and network pharmacology of its anti-inflammatory mechanism

Objective To analyze the main chemical constituents of Notoginseng Radix et Rhizoma (NRR) by ultra performance liquid chromatography quadrupole-time-of-flight hybrid mass spectrometry (UPLC-Q-TOF-MS), and to study on the mechanism of NRR with multi-components, multi-targets, and multi-pathways for the treatment of inflammatory based on network pharmacology. Methods The main chemical components in NRR were analyzed by UPLC-Q-TOF-MS. DAVID database was used to analyze gene ontology (GO) enrichment analysis and Kyoto gene and genome encyclopedia (KEGG) pathway analysis. In addition, Cytoscape 3.6.1 software was used to draw network interaction diagrams, and Image GP tool was used to draw GO bubble diagrams. Results A total of 22 active components (ginsenoside Rh₁, ginsenoside Rg₁, and monolaurin) of NRR and 31 related targets (EGFR, STAT3, MAPK14) were screened. GO and KEGG pathway enrichment analysis revealed that active components of NRR acted on EGFR, STAT3, MAPK14, IL2 targets, and may regulate pathways in cancer, Cytokine-cytokine receptor Interaction, CAMs and so on. Conclusion This study reflects the characteristics of multi-components, multi-targets, and multi-pathways of NRR in the aspect of anti-inflammatory, which may provides new ideas and methodology for further research on NRR.