基于指纹图谱和网络药理学预测丹楂通脉丸药效物质基础OACSTPCD

Objective To establish the fingerprint of Danzha Tongmai Pill(DZTMP),and to analyze the contribution rate of chromatographic peaks using chemometrics,and predict its pharmacodynamic material basis combined with network pharmacology methods.Methods Using a Agilent C18 chromatographic column(250 mm×4.6 mm,5 μm)with a detection wavelength of 280 nm,a mobile phase of 0.1%phosphoric acid water-acetonitrile,a flow rate of 1.0 mL·min-1,and gradient elution,the fingerprint of the methanol extract of DZTMP was established.Using network pharmacology to screen relevant component targets and pathways,a"component-target-pathway"network was constructed,and molecular docking verification was performed on the potential pharmacodynamic materials and key targets of DZTMP.The anti-inflammatory activity of potential pharmacodynamic materials was verified through in vitro experiments.Results Among the fingerprint spectra of 10 batches of samples,there were 15 common peaks,with two characteristic peaks identified as salvianolic acid B and salvianolic acid A.Network pharmacology analysis indicated that salvianolic acid B and salvianolic acid A were the active components responsible for the efficacy of DZTMP,and they were predicted to be the main pharmacodynamic material basis of the medicine.In vitro cell experiments demonstrated that,compared with the model group,the NO release in the high-,medium-,and low-dose salvianolic acid B groups was significantly reduced(P<0.01),and the NO release in the high-dose salvianolic acid A group was also significantly decreased(P<0.01),indicating certain anti-inflammatory activity.Conclusion Predicting the pharmacodynamic material basis of DZTMP through fingerprint spectra and network pharmacology provides a scientific basis for the comprehensive control and evaluation of the quality of DZTMP.