基于UPLC-Triple-TOF-MS和网络药理学快速建立郁金潜在中药质量标志物成分库  

Rapid establishment of a database of potential quality markers(Q-Marker) of traditional Chinese medicine in Curcuma Radix based on UPLC-Triple-TOF-MS and network pharmacology

作　　者：张宽永 沈燚 张璐 张巧艳 蒙雄裕 葛志伟[2] 严斌俊 秦路平 ZHANG Kuan-yong;SHEN Yi;ZHANG Lu;ZHANG Qiao-yan;MENG Xiong-yu;GE Zhi-wei;YAN Bin-jun;QIN Lu-ping(College of Pharmacy,Zhejiang Chinese Medical University,Hangzhou 310053,China;Agricultural and Health Environmental Testing Center of Zhejiang University,Hangzhou 310058,China)

机构地区：[1]浙江中医药大学药学院,浙江杭州310053 [2]浙江大学农生环测中心,浙江杭州310058

出　　处：《中草药》2022年第9期2612-2622,共11页Chinese Traditional and Herbal Drugs

基　　金：浙江省中医药科技计划项目(2019ZQ012);GK2021年浙江省重点研发项目(21-308)。

摘　　要：目的根据中药质量标志物(quality marker,Q-Marker)的理念,建立不同基源郁金的潜在Q-Marker库。方法采用超高效液相色谱-三重四极杆-飞行时间质谱联用(UPLC-Triple-TOF-MS)技术,建立郁金化学成分高分辨质谱数据库,通过网络药理学等方法构建“化学成分-靶点-通路”预测郁金潜在的Q-Marker。结果郁金药材中共鉴定出46个化学成分,其中共有成分12个。以共有成分为Q-Marker候选物进行网络药理学分析,预测姜黄酮、莪术双环烯酮、莪术二酮、莪术烯醇、莪术醇、二氢姜黄素、去甲氧基姜黄素和莪术呋喃二烯酮可作用于5羟色胺受体(HTR1A、HTR2A、HTR1D、HTR1B)、阿片受体(OPRK1、OPRM1、OPRD1、OPRL1)等靶点,通过调控神经活性配体-受体相互作用、血清素能突触、钙信号通路、cAMP信号通路、逆行内源性大麻素信号等重要通路发挥抗抑郁的作用。结论通过UPLC-Triple-TOF-MS技术和网络药理学方法,可以快速分析和确定中药郁金的化学成分,建立郁金的潜在Q-Marker库。Objective According to the concept of Q-Marker of traditional Chinese medicine,to establish a potential Q-Marker library of different sources of Yujin(Curcuma Radix).Methods Ultra-performance liquid chromatography and triple quadrupole time-of-flight mass spectrometry(UPLC-Triple-TOF-MS) technology was used to establish a high-resolution mass spectrometry database of the chemical constituents of Curcuma Radix,and the chemical constituents-targets were constructed by methods such as network pharmacology.Point-channel prediction of Curcuma Radix Q-Marker.Results A total of 46 chemical components and 12common components were identified in Curcuma Radix decoction pieces.Using common components as Q-Marker candidates for network pharmacology analysis,it was predicted that turmerone,curcumenone,curdione,curcumenol,curcumol,dihydrocurcumin,demethoxycurcumin and furanodienone can act on serotonin receptors(HTR1A,HTR2A,HTR1D,HTR1B),opioid receptors(OPRK1,OPRM1,OPRD1,OPRL1) and other targets,through the regulation of neuroactive ligand-receptor interactions,serotonergic synapses,calcium signaling pathways,cAMP signaling pathways,retrograde endocannabinoids important pathways such as signaling play an anti-depressant effect.Conclusion UPLC-Triple-TOF-MS technology and network pharmacology methods can be used to quickly analyze and determine the chemical components of traditional Chinese medicine Curcuma Radix,and establish a potential Q-Marker library of Curcuma Radix.

关 键 词：郁金 质量标志物 网络药理学 姜黄酮 莪术双环烯酮 莪术二酮 莪术烯醇 莪术醇 二氢姜黄素 去甲氧基姜黄素 莪术呋喃二烯酮 

分 类 号：R284.1[医药卫生—中药学]