Study On Chemical Components Of Danggui Buxue Decoction Based On UPLC-Q-TOF-MS Combined With Diagnostic Ions And Molecular Network Strategies

Background: Danggui Buxue Decoction(DBD)is a classic Chinese medicine prescription of invigorating Qi and generating blood.It is composed of Astragali Radix(HQ)and Angelicae Sinensis Radix(DG)with a ratio 5: 1.HQ can greatly invigorate the vitality,and DG is good at nourishing blood.Their combination could promote both Qi and blood simultaneously.At present,there are a lot of researches focusing on the chemical composition,compatibility,the efficacy and mechanism,and clinical application of DBD.DG used in the original prescription was processed with wine and HQ was honey-processed.However,modern research and clinical application are not standardized.There was no systematic comparison between DBD with raw and processed drug compatibility.Therefore,it is of great significance to study the chemical composition changes before and after processing and compatibility of DG and HQ,and to clarify the material basis and mechanism of its efficacy,and to clarify the scientific connotation of wine-processing and honey-processing.Objective: To establish the chemical composition characterization strategy of TCM based on UPLC-Q-TOF-MS technology;to rapidly identify the chemical components of DG,wine-processed Angelicae Sinensis Radix(WDG),HQ,honey-processed Astragali Radix(HHQ)and DBD by using the above established strategy,and to analysis the differences between them.Methods: 1.By using UPLC-Q-TOF-MS,we collect the mass spectrum data of DG and WDG.The local chemical composition database of DG was established by refering to literature report.The fragmentation way and diagnostic ions of phthalein compounds of DG were summarized and used to screen the same chemical components.The GNPS molecular network of DG and WDG was established to identify the predicted compounds in GNPS database.The structure of the unknown compounds was inferred by the similarities and differences of MS/MS among the related nodes.To characterize the chemical components of DG and WDG,and analyse the difference between them.2.Using the above analysis strategy to analyze the chemical components of HQ and HHQ,and compare the difference between them.3.According to the above methods to analyze the chemical components of DBD,WDG and HHQ,and compare the difference of chemical components between them.Results: 1.Using UPLC/Q-TOF-MS technology combined with diagnostic ions and molecular network strategies,a total of 126 compounds were identified from DG and WDG,including 28 phthalides,33 organic acids,8 coumarins,8 flavonoids,19 amino acids,and 30 other compounds.A total of 110 compounds were identified in DG,and 113 compounds were identified in WDG.2.Using the above analysis strategy,a total of 209 compounds were identified from HQ and HHQ,including 63 flavonoids,67 saponins,30 organic acids,26 amino acids,3 coumarins and 20 other compounds.There were 182 compounds and 180 compounds were identified in HQ and HHQ respectively.3.Using the above analysis strategies to analyze the chemical components of DBD,WDG and HHQ.A total of 252 compounds were identified in the three samples,including 61 flavonoids,58 saponins,24 phthalides,6 coumarins,41 organic acids,19 amino acids,and 43 other compounds.Among them,199 compounds were identified in DBD,113 compounds in WDG and 180 compounds in HHQ.There are 48 chemical constituents were identified in the 3 samples at the same time,mainly amino acids,organic acids and a small amount of flavonoids.Compared with the two single herbs,13 compounds were only identified in DBD,and 53 compounds were only identified in the WDG and HHQ.Conclusion: In this study,a UPLC/Q-TOF-MS technology combined with diagnostic ions and molecular network strategies was established to characterize the chemical components of DG,WDG,HQ,HHQ and DBD.The chemical composition changes between DG and WDG,HQ and HHQ,DBD and the two processed medicine were briefly analyzed,which laid a foundation for clarifing the scientific connotation of wine processing and honey processing,and studying the difference of material basis of DBD between raw and processed drug.