Study on the Quality Markers of Paeoniae Radix Alba Based on the Complete Expression of Effectiveness
Objective:To reveal the quality markers(Q-markers)of Paeoniae Radix Alba from the perspectives of medicinal properties(five flavors)and efficacy by using the ternary theory of"property-efficacy-component".Methods:Liquid chromatography-mass spectrometry(LC-MS)method was used to analyze the chemical components of Radix Paeoniae Alba,stir-fried Radix Paeoniae Alba and Radix Paeoniae Rubra.On this basis,the representative compounds of each structural type in Paeoniae Radix Alba were selected as ligands,and the molecular docking experiments with bitter and sour receptors were carried out to predict the potential medicinal(five flavors)material basis of Paeoniae Radix Alba.The network pharmacology was used to predict the potential targets of the compounds through Swiss Target Prediction,TCMSP and other databases,and bioinformatics analysis was performed to construct a'compound-target-signaling pathway-pharmacological effect-efficacy'network.The anti-inflammatory effects of Radix Paeoniae Alba and key compounds were further verified by using the in vitro anti-inflammatory drug screening model,and the material basis of Radix Paeoniae Alba was clarified based on efficacy.Then the Q-markers of Radix Paeoniae Alba were determined based on the complete expression of effectiveness.Results:A total of 42 components in Radix Paeoniae Alba,42 components in stir-fried Radix Paeoniae Alba and 34 components,in Radix Paeoniae Rubra were identified,respectively.Among them,monoterpene glycosides may be the most important bitter material basis of Radix Paeoniae Alba,and tannin compounds with galloyl may be the material basis of sour taste.The results of network pharmacology showed that 17 components in Paeoniae Radix Alba interfered with 165 related pathways by acting on 191 potential targets,which have the effects of promoting bone marrow hematopoietic function,inhibiting uterine contraction,anti-inflammatory,analgesic,liver protection,anti-hypertension and inhibiting sweat gland secretion.The results of verification experiments showed that the 8 main components in Paeoniae Radix Alba could exert anti-inflammatory effects by down-regulating the expression of inflammatory factors such as interleukin-6,tumor necrosis factor α and nitric oxide.Conclusion:Paeoniflorin,albiflorin,oxypaeoniflorin,galloylpaeoniflorin,benzoylpaeoniflorin,catechin,pentagalloylglucose and gallic acid were preliminarily identified as Q-markers of Radix Paeoniae Alba based on the complete expression of effectiveness.
ternary theory of"property-efficacy-component"complete expression of effectivenessquality markerLC-MSmolecular dockingnetwork pharmacology
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