基于UPLC-Q-TOF-MS及网络药理学探究姜栀子及栀子炭差异性功效机制

Study on differential efficacy mechanism of based on Fructus Gardeniae after processed with Ginger Juice and carbonized Fructus Gardeniae by UPLC-Q-TOF/MS and network pharmacology

目的:采用超高效液相色谱-四极杆-飞行时间串联质谱法(UPLC-Q-TOF-MS)和网络药理学探讨姜栀子及栀子炭功效改变的物质基础及作用机制。方法:采用UPLC-Q-TOF-MS分析鉴定姜栀子和栀子炭中的化学成分,通过与文献质谱数据对比分析,对姜栀子和栀子炭中的化学成分进行鉴定。运用网络药理学方法构建不同栀子炮制品产生不同功效的“有效成分-靶点-通路”,通过网络节点度值筛选栀子不同炮制品产生不同功效的核心成分和关键靶点。结果:与生栀子相比,姜栀子与栀子炭中的成分数量均发生减少,其中生栀子共鉴定出42个化合物,姜栀子共鉴定出39个化合物,栀子炭中共鉴定出26个化合物。网络药理学预测姜栀子止呕的作用机制主要涉及PI3K-Akt、Rap1、Ras、C型凝集素受体、催乳素、ErbB等信号通路。栀子炭止血的作用机制主要涉及AGE-RAGE,磷脂酶D、鞘脂、Rapl、松弛素、Fc epsilon RI、ErbB、C型凝集素受体、TNF、VEGF等多条信号通路。结论:姜栀子和栀子炭均可通过多成分、多靶点、多通路的综合作用其功效发生改变,该研究可为栀子炮制品临床应用奠定科学基础。

OBJECTIVE To explore the potential pharmacodynamic substances and elucidate the mechanism of Fructus Gardeniae after a treatment of ginger juice and carbonized Fruotus Gardeniae with UPLC-Q-TOF-MS and network pharmacology.METHODS To identify the chemical constituents in F.Gardeniae after a treatment of ginger juice and carbonized F.Gardeniae.Network pharmacology method was utilized for constructing the"active ingredient-target-pathway"of F.Gardeniae after a treatment of ginger juice and carbonized F.Gardeniae with different effects.And core components and key targets of various gardenia products with differential effects were screened by network node degree value.RESULTS As compared with F.Gardeniae,42 compounds were identified from raw F.Gardeniae,39 compounds from ginger gardenia and 26 compounds from carbonized gardenia.After a treatment of ginger juice,the mechanism of anti-emesis with F.Gardeniae mainly involved PI3K-Akt,Rap1,Ras,C-type lectin receptor,prolactin,ErbB and other signaling pathways.The hemostatic mechanism of carbonized F.Gardeniae mainly involved AGE-RAGE,phospholipase D,sphingolipid,Rapl,relaxin,Fc epsilon RI,ErbB,C-type lectin receptor,TNF,VEGF and other signaling pathways.CONCLUSION The efficacy of F.Gardeniae after a treatment of ginger juice and carbonized F.Gardeniae may be altered through the comprehensive actions of multi-component,multi-target and multi-pathway,providing scientific rationales for their clinical applications.