School of Pharmacy, Shenyang Pharmaceutical University, Shenyang 110016, China.
School of Pharmacy, Shenyang Pharmaceutical University, Shenyang 110016, China.
J Pharm Biomed Anal. 2024 Sep 1;247:116241. doi: 10.1016/j.jpba.2024.116241. Epub 2024 May 22.
Senecio scandens Buch.-Ham., a traditional Chinese medicine commonly used clinically, exhibits various pharmacological properties, including anti-inflammatory, anti-tumor, antiviral, and antibacterial activities. However, its water extracts' chemical components and metabolites are inadequately understood, limiting further research. In this study, the chemical components and metabolism processes of Senecio scandens, both in vivo (plasma, feces, urine, and bile) and in vitro (gut microbiota and liver microsomes), were characterized based on ultra-high performance liquid chromatography coupled with hybrid quadrupole-orbitrap high-resolution mass spectrometry. Additionally, metabolites detectable in fecal samples and intestinal microbiota incubated but absent in liver microsomes were identified as characteristic metabolites of intestinal microbiota. The targets of the characteristic metabolites of intestinal microbiota were collected, followed by exploration of potential pathways through KEGG enrichment analysis. As a result, a total of 133 chemical components were preliminarily identified, including 35 organic acids, 21 alkaloids, 19 flavonoids and their glycosides, 17 phenylpropanoids, 10 jacaranda ketones, and 31 other compounds. Notably, 12 of these were potentially novel compounds. In addition, 39 prototype components in rats and 109 metabolites were identified and characterized, including 102 in vivo and 52 metabolites in vitro (51 in rat gut microbiota and 24 in rat liver microsomes). The main metabolic pathways include oxidation, reduction, hydrolysis, methylation, glucuronidation, sulfonation, and acetylation reactions. Furthermore, KEGG enrichment analysis revealed that the characteristic metabolites of intestinal microbiota may be related to the ErbB, FoxO, mTOR, and MAPK signaling pathways, exhibiting anti-inflammatory and anti-tumor effects. In summary, the chemical components and metabolites of Senecio scandens were comprehensively identified using a rapid and accurate method, providing a scientific basis for the in-depth study of the material basis and its clinical application of Senecio scandens.
垂盆草是一种常用的传统中药，具有多种药理活性，包括抗炎、抗肿瘤、抗病毒和抗菌活性。然而，其水提物的化学成分和代谢物了解不足，限制了进一步的研究。本研究采用超高效液相色谱-四级杆轨道阱高分辨质谱联用技术，对垂盆草的体内（血浆、粪便、尿液和胆汁）和体外（肠道微生物群和肝微粒体）的化学成分和代谢过程进行了研究。此外，还鉴定了在粪便样本和肠道微生物群孵育中可检测到但在肝微粒体中不存在的代谢物，将其鉴定为肠道微生物群特征代谢物。收集肠道微生物群特征代谢物的靶点，然后通过 KEGG 富集分析探索潜在途径。结果共初步鉴定出 133 种化学成分，包括 35 种有机酸、21 种生物碱、19 种黄酮及其糖苷、17 种苯丙素、10 种蓝花楹酮和 31 种其他化合物。值得注意的是，其中 12 种可能是新化合物。此外，还鉴定并表征了大鼠中的 39 种原型成分和 109 种代谢物，包括 102 种体内代谢物和 52 种体外代谢物（51 种在大鼠肠道微生物群中，24 种在大鼠肝微粒体中）。主要代谢途径包括氧化、还原、水解、甲基化、葡萄糖醛酸化、硫酸化和乙酰化反应。此外，KEGG 富集分析表明，肠道微生物群特征代谢物可能与 ErbB、FoxO、mTOR 和 MAPK 信号通路有关，具有抗炎和抗肿瘤作用。综上所述，采用快速准确的方法对垂盆草的化学成分和代谢物进行了全面鉴定，为深入研究垂盆草的物质基础及其临床应用提供了科学依据。
