期刊
出版社
ELSEVIER
DOI: 10.1016/j.jchromb.2022.123397
关键词
Chinese herbal medicine; Constituents absorbed into blood; Differential metabolites; Liquid chromatography -mass spectrometry; Potential active ingredients
资金
- National Natural Science-Foundation of China [81973445, 81904236]
- Graduate Research and Innovation Projects of Jiangsu Province [KYCX21_1807, KYCX21_1730, KYCX21_1806]
This study used UPLC-Q/TOF-MS system and molecular docking technology to search for potential active ingredients for treating osteoporosis with kidney-yin deficiency. The results suggested that specnuezhenide, salidroside, tyrosol, echinacoside, and verbascoside could be potential active ingredients. Furthermore, this study laid the foundation for further research on the mechanism of EZW in treating osteoporosis with kidney-yin deficiency.
Er-Zhi-Wan (EZW), a classical traditional Chinese formulation, has attracted more and more attention. This study was carried out to analyze the constituents of EZW absorbed into blood and find out the potential active in-gredients for treating osteoporosis (OP) with kidney-yin deficiency (KYD). The rat model of OP with KYD was achieved by ovariectomies and using the mixture of thyroxine and reserpine. Then ultra-high performance liquid chromatography coupled with a quadrupole time-of-flight mass spectrometer (UPLC-Q/TOF-MS) combined with statistical analysis was used to analyze the constituents of EZW absorbed into blood and differential components between the normal and OP with KYD rats. Finally, the components identified in OP with KYD rats were docked with targets of OP with KYD found in online databases. The results of molecular docking were adopted to find the potential active ingredients and further verified in vitro experiment. A total of 21 prototype compounds and 69 metabolites were identified in serum. Among them, 63 components in model rats and 50 components in normal rats were summarized, respectively. Most of the identified metabolites in serum of model rats were produced by hydrolysis, oxidation or glucuronidation, while in serum of normal rats were produced by hydrolysis, oxidation and methylation. According to the results of molecular docking, specnuezhenide, salidroside, tyrosol, echina-coside and verbascoside could be classified as potential active ingredients. The activity of salidroside and a metabolite was verified by pharmacodynamics analysis. In summary, UPLC-Q/TOF-MS system was combined with molecular docking to search the potential active ingredients from model rats of OP with KYD, which provided a new idea for the research on the pharmacodynamic material basis of other traditional medicine. Moreover, the result of this study lays the foundation for further study regarding the mechanism of EZW in treating OP with KYD.
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