[关键词]
[摘要]
目的 系统研究藤黄健骨胶囊的主要化学成分,并探讨其发挥药效的主要作用机制,为其药效物质研究提供一定的参考依据。方法 采用超高效液相色谱-四极杆/静电场轨道阱高分辨质谱(UHPLC-Q-Orbitrap HRMS)对藤黄健骨胶囊的主要化学成分进行全面分析,根据化合物的一级、二级质谱信息,并与对照品或参考文献进行比对,以实现对药物的化学信息进行快速识别。在此基础上,采用BAT-MAN-TCM数据库对鉴定得到的化学成分进行靶点预测,进一步通过DAVID数据库进行KEGG通路注释分析和GO富集分析,初步筛选出药物的主要药效物质,并探讨其作用机制。结果 从藤黄健骨胶囊中共鉴定出34种化学成分,“成分-靶点”网络分析表明药物中的重要成分山柰酚、大豆苷元、熊果酸、刺芒柄花素和豆甾醇等可作用于Bcl-2、BAX、AKt、PPARG、PTGS1、PTGS2、TNF、IL6、F7及IL1B等关键靶点,结果分析表明破骨细胞分化信号通路、NF-κB信号通路、PI3K-Akt信号通路、肾细胞信号通路以及血小板激活等可能是其发挥壮骨健骨、补肾活血和解痉止痛治疗作用的主要途径。结论 采用UHPLC-Q-Orbitrap HRMS高分辨质谱分析结合网络药理学的方法,初步明确了藤黄健骨胶囊的化学组成及潜在作用机制,为筛选其药效成分及深入阐明作用机制提供了科学的理论依据。
[Key word]
[Abstract]
Objective To systematically study the chemical components of Tenghuang Jiangu Capsule, explore the main mechanism of action, and provide some evidences for the research of its pharmacodynamic substances. Methods In this study, UHPLC-Q-Orbitrap HRMS was used to comprehensively analyze the main chemical components of Tenghuang Jiangu Capsule. According to the MS/MS spectrometry information of compounds, the chemical information of this herbal formula can be quickly and accurately identified by comparison with standards or references. Next, the BAT-MAN-TCM database was used to predict the targets of the identified chemical components. The KEGG pathway annotation analysis and GO enrichment analysis were further carried out through the DAVID database to screen out the main pharmacodynamic substances of Tenghuang Jiangu Capsule and explore the potential mechanisms. Results A total of 34 chemical components were identified in Tenghuang Jiangu Capsule. The “component-target” network analysis indicated that the major components including kaempferol, isoflavoues aglycone, ursolic acid, formononetin, and stigmasterol might act on some key targets such as Bcl-2, BAX, AKt, PPARG, PTGS1, PTGS2, TNF, IL6, F7, IL1B, etc. The results indicated that osteoclast differentiation, NF-κB, PI3K-Akt, renal cell, and platelet activation might be the main action pathways of exerting the therapeutic effect of bone protection, nourishing kidney, promoting blood circulation and relieving pain of Tenghuang Jiangu Capsule. Conclusion In this study, UHPLC-Q-Orbitrap HRMS combined with network pharmacology was used to preliminarily clarify the chemical composition and reveal potential mechanism of Tenghuang Jiangu Capsule. The results provided scientific theoretical basis for screening the effective ingredients and further clarifying the mechanism of action of Tenghuang Jiangu Capsule.
[中图分类号]
R284.1
[基金项目]
国家自然科学基金资助项目(81600377);河南省高等学校重点科研项目基础研究计划(19A320070)