The exciting and magical journey of components from compound formulae to where they fight

With its long-term empirical clinical practice and increasing number of health benefits reported,Chinese Materia Medica(CMM)is gaining increasing global acceptance.Importantly,the identification of chemical constituents in vitro and exposed forms in vivo is a prerequisite for understanding how CMM formulae prevent and treat diseases.This review systematically summarizes the exciting and magical journey of CMM components from compound formulae to where they fight,the possible structural transformation of CMM components in vitro and in vivo,and their pharmacological contribution.When a decoction is prepared,significant chemical reactions are observed,including degradation and production of polymers and self-assembling supramolecules,leading to the construction of a component library with diverse decoction structures.After ingestion,compounds pass through the intestinal and blood-brain barriers and undergo a more wonderful journey involving the gut microbiota,microbial enzymes,and endogenous drug-metabolizing enzymes(mainly liver enzymes).At this stage,they are modified and assembled into novel and complex compounds,such as newly generated metabolites,conjugates,and self-assembling superamolecules.This review might provide a strategic orientation to explore the active compounds of CMM formulae in vivo.

Systematically characterized mechanism of Yanhusuo powder ingredient absorbed in rat plasma for treatment osteoarthritis via UPLC-Q-TOF/MS with UPLC-MS/MS and network pharmacology

Background:Yanhusuo powder,also known as Xuanhusuo powder,is a long-standing Chinese herbal formula mainly used in the treatment of osteoarthritis.Although the clinical effectiveness of Yanhusuo powder has long been acknowledged,its mechanism of action and bioactive components remain unknown.Methods:A novel analytical method combining the use of ultra-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry and ultra-performance liquid chromatography-triple quadrupole mass spectrometry was applied to profile the formula and absorbed prototype components in plasma after oral administration of Yanhusuo powder.Then,the absorbed constituents were subjected to network pharmacology to predict targets and pathways.AutoDock software was then used for molecular docking studies to screen for potential pharmacodynamic substances.Results:A total of 34 in vitro formula components and 20 in vivo prototype compounds from the various relevant species were successfully separated and identified for the first time.Compound-target-pathway analysis revealed that 20 absorbed constituents,42 target genes and 42 pathways are probably related to the efficacy of Yanhusuo powder against osteoarthritis.The efficacy of Yanhusuo powder mainly involves AKT1,fibronectin 1 and matrix metalloproteinase 9 targets and apoptosis,as well as PI3K-AKT and mitogen-activated protein kinases signaling pathways.According to the results of the molecular docking studies,it can be preliminarily judged that protopine,dehydrocorybulbine and angelicin may be the pharmacologically active substances of Yanhusuo powder.Conclusion:The results provide a scientific basis for understanding the bioactive compounds and the pharmacological mechanism of Yanhusuo powder.

Material Base of in vivo Invigorating Qi and Enriching Blood of Bazhen Decoction by HPLC-ESI-MS

Objective To identify the in vivo metabolized chemical constituents in Bazhen Decoction(BZD) and to study the relationship between Siwu Decoction(SWD) and Sijunzi Decoction(SJZD) with BZD.Methods Analysis and comparison were carried out by HPLC-ESI-MS.Serum samples after ig administration of preparations such as SWD,SJZD,and BZD,with different ingredients were collected for analysis.Results Twenty-two components were detected after ig administration of BZD,and six of them were metabolites and others were original form of the components contained in BZD.The prototype constituents were atractylenolide I,5-hydroxymethyl-furoic acid(5-HMFA),oxypaeoniflorin,atractylenolide III,albiflorin,paeoniflorin,liquiritin,ferulic acid,ligustilide,and ginsenosides Rg1 and Rb1.The metabolized constituents were paeonimetabolin I,glycyrrhetic acid monoglucuronide,glycyrrhetinic acid,and ginsenosides Rh1 and Rd.Conclusion The results also show that 5-HMFA,oxypaeoniflorin,albiflorin,paeoniflorin,ferulic acid,and ligustilide are common components absorbed into blood existing in both BZD and SWD,which are material base of enriching blood;Atractylenolide I,atractylenolide III,and liquiritin are common ingredients absorbed into blood existing in both BZD and SJZD,and they are material base of invigorating Qi.The results provide basic data for the further studies on the effective components,the effecting mechanism,and the quality control of BZD.