Identification of chemical constituents in Zhachong Shisanwei Pills by UPLC-Q-TOF-MS/MS / 中国中药杂志

Zhachong Shisanwei Pills, composed of 13 Chinese medicinal materials, are used for treating the diseases such as hemiplegia, pain of muscles and bones, rheumatism, and joint pain. The chemical composition and pharmacodynamics of Zhachong Shisanwei Pills have not been reported. Ultra-performance liquid chromatography/quadrupole-time-of-flight tandem mass spectrometry(UPLC-Q-TOF-MS/MS) was employed to quickly identify the chemical components of Zhachong Shisanwei Pills, which was performed with Shim-pack GIST C_(18) column(4.6 mm×150 mm, 5 μm). The gradient elution was conducted with methanol-0.05% acetic acid as the mobile phase. Electrospray ionization mass spectrometry(ESI-MS) was carried out in both positive and negative ion modes. The compounds were identidied based on accurate relative molecular weight, fragment ion species, and the MS data of reference substances and in literature. In conclusion, a total of 98 compounds were identified, including 19 organic acids, 36 flavonoids, 13 volatile oils, 8 tannins, 5 2-(2-phenylethyl)chromones, 5 amino acids, 3 sesquiterpenoids, 3 alkaloids, and 2 other compounds. This study characte-rized the chemical components of Zhachong Shisanwei Pills rapidly for the first time, laying a foundation for further research on the pharmacodynamic material basis and quality evaluation.

Effects of verapamil on pharmacokinetics of Y101 in vivo in rats / 中国药理学通报

Aim To develop a liquid chromatography electrospray-ionization tandem mass spectrometry (LC- MS/MS) method for simultaneous determination of bentysrepinine (Y101) and its metabolites M8 and M9 in rat plasma and to investigate the effect of verapamil, an inhibitor of P-glycoprotein (P-gp) , on the pharma¬cokinetics of Y101, a substrate of P-gp, in rats. Methods SD rats were divided randomly into two groups; ( 1) Y101 only as a control group, received an oral dose of 60 mg • kg"1 Y101; (2) Verapamil plus Y101 as an experimental group, received an oral dose of 60 mg • kg"1 Y101 in combination of 25 mg • kg"1 verapamil. The plasma concentrations of Y101 and its metabolites were determined by LC-MS/MS method af¬ter intragastric administration, and the pharmacokinetic parameters were calculated using non-compartmental a- nalysis. Results We successfully developed and fully validated a LC-MS/MS method, which simultaneously determined the concentration of Y101 and its metabo¬lites in rat plasma. The AUC0_t for Y101 and M9 in experimental group increased to 1.71-fold and 1.58- fold in comparison of control group. At the same time, the plasma clearance of Y101 and M9 decreased to 60% of control. However, we did not find any differ¬ence in AUC0_l and plasma clearance for M8 between two groups. Conclusions The validated LC-MS/MS method is sensitive and rapid for the determination of Y101 and its metabolites in rat plasma and was suc¬cessfully applied to the pharmacokinetic study in rats. Verapamil, a P-gp inhibitor, significantly increases the exposure of Y101 and its metabolites in vivo, indicating the adjustment of Y101 dosage for combined adminis¬tration is needed in clinical practice.