Guangxi Key Laboratory of Efficacy Study on Chinese Materia Medica, Guangxi University of Chinese Medicine, Nanning, Guangxi, 530200, China.
Faculty of Pharmacy, Guangxi University of Chinese Medicine, Nanning, Guangxi, 530200, China.
Curr Drug Metab. 2024;25(3):205-219. doi: 10.2174/0113892002299899240515092703.
Waiganfengsha Granule, an over-the-counter drug, is commonly used for treating windheat cold and sore throat in clinical settings. However, its material basis of medicinal efficacy is still unclear. In this study, an efficient integrated analytical strategy was established for its chemical and metabolite profiles study.
Firstly, to avoid the possible false-positive results of structural elucidation, an in-house component library that contains chemical constituents reported in the literature from the six individual medicines of Waiganfengsha Granule was established. Secondary, mass data post-processing techniques, including precursor ion list and neutral loss filtering, were applied to enhance the identification accuracy. Thirdly, for the rapid characterization of those absorbed components after oral administration in rats, the identified chemical constituents were used as candidate components for the serum analysis. By comparing the retention time and analyzing mass data, the metabolites in rat plasma were identified.
As a result, 57 chemical ingredients were identified, including 21 phenolic acids, 9 alkaloids, 2 flavonoids, 5 lignins, 13 saponins, and 7 other compounds. Among these, 12 compounds were unambiguously identified by comparison with reference standards, and 45 were tentatively characterized by analyzing their accurate MS data, MS/MS fragmentation patterns, and also by comparison with those data reported in the literature. Additionally, 46 metabolites were detected and identified in rat plasma.
This study is beneficial for understanding the chemical composition and metabolic profiles of Waiganfengsha Granule, and the results obtained might provide a solid basis for further studies on its functional mechanism.
外感风痧颗粒是一种非处方药，临床上常用于治疗风热感冒和咽痛。然而，其药效的物质基础仍不清楚。本研究建立了一种有效的综合分析策略，用于研究其化学成分和代谢产物谱。
首先，为避免结构解析可能出现的假阳性结果，建立了包含外感风痧颗粒 6 味药文献报道的化学成分的内部成分库。其次，应用质量数据后处理技术，包括前体离子列表和中性丢失过滤，以提高鉴定准确性。第三，为了快速表征口服给药后大鼠体内的吸收成分，将鉴定出的化学成分用作血清分析的候选成分。通过比较保留时间和分析质量数据，鉴定大鼠血浆中的代谢物。
共鉴定出 57 种化学成分，包括 21 种酚酸、9 种生物碱、2 种黄酮、5 种木脂素、13 种皂苷和 7 种其他化合物。其中，12 种化合物通过与对照品比较进行了明确鉴定，45 种化合物通过分析其准确的 MS 数据、MS/MS 碎片模式以及与文献报道的数据进行比较进行了推测鉴定。此外，在大鼠血浆中检测到并鉴定出 46 种代谢物。
本研究有助于了解外感风痧颗粒的化学成分和代谢产物谱，研究结果可为进一步研究其功能机制提供坚实的基础。
