结合化学特征鉴定、药代动力学、代谢组学和网络药理学发现黄芩抗病毒性肺炎的Q-标志物。
Discovering the Q-marker of scutellaria baicalensis against viral pneumonia integrated chemical profile identification, pharmacokinetic, metabolomics and network pharmacology.
作者信息
Wang Xiaoyan, Xie Yujun, Bayoude Alamusi, Zhang Boli, Yu Boyang
机构信息
Jiangsu Provincial Key Laboratory of TCM Evaluation and Translational Research, School of Traditional Chinese Pharmacy, China Pharmaceutical University, Nanjing, 211198, China; State Key Laboratory of Modern Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China.
Jiangsu Provincial Key Laboratory of TCM Evaluation and Translational Research, School of Traditional Chinese Pharmacy, China Pharmaceutical University, Nanjing, 211198, China.
出版信息
J Ethnopharmacol. 2025 Jan 31;340:119232. doi: 10.1016/j.jep.2024.119232. Epub 2024 Dec 9.
ETHNOPHARMACOLOGICAL RELEVANCE
Scutellaria baicalensis (SR), an ancient antiviral herbal medicine, is widely used in treating viral pneumonia and its active constituents, baicalin and baicalein, have been reported to have antiviral activity.
AIM OF THE STUDY
However, reports on Q-markers of SR for antiviral pneumonia are still scarce. This study aims to screen for Q-markers using a comprehensive strategy that integrates identification of chemical profiles, in vivo absorption, metabolic regulation and predicted target.
MATERIALS AND METHODS
First, the markers were screened by chemical profile identification and pharmacokinetics using HPLC-MS/MS. Then, the therapeutic effects and differential metabolites of SR on viral pneumonia rats were evaluated by HE staining, assessment of inflammation levels and metabolomics analysis. Finally, the mechanisms of action between Q-markers and metabolites were exploited based on network pharmacology.
CONCLUSION
A total of 139 compounds were identified in SR, of which 35 and 41 were found in rat plasma and urine, respectively. Pharmacokinetic screening identified baicalin, baicalein, wogonin, wogonoside and oroxylin A as potential markers of SR. Furthermore, SR significantly improved interstitial and alveolar oedema, hemorrhage and alveolar collapse after modelling, while reducing the expression of inflammatory factors. Metabolomics revealed that SR significantly regulated the expression of 37 metabolites, mainly involving phenylalanine, tyrosine and tryptophan biosynthesis pathways. Network pharmacology showed that these five biomarkers can regulate the expression of metabolites through the key target SRC, ESR1, HSP90AA1, EGFR, thereby exerting antiviral effects against pneumonia. The study results suggest that baicalin, baicalein, wogonin, wogonoside and oroxylin A serve as primary Q-markers of SR in the treatment of viral pneumonia.
民族药理学相关性
黄芩是一种古老的抗病毒草药，广泛用于治疗病毒性肺炎，其活性成分黄芩苷和黄芩素已被报道具有抗病毒活性。
研究目的
然而，关于黄芩用于抗病毒性肺炎的Q-标志物的报道仍然很少。本研究旨在采用一种综合策略筛选Q-标志物，该策略整合了化学图谱鉴定、体内吸收、代谢调节和预测靶点。
材料与方法
首先，通过HPLC-MS/MS进行化学图谱鉴定和药代动力学筛选标志物。然后，通过HE染色、炎症水平评估和代谢组学分析评估黄芩对病毒性肺炎大鼠的治疗效果和差异代谢物。最后，基于网络药理学探讨Q-标志物与代谢物之间的作用机制。
结论
在黄芩中总共鉴定出139种化合物，其中分别在大鼠血浆和尿液中发现了35种和41种。药代动力学筛选确定黄芩苷、黄芩素、汉黄芩素、汉黄芩苷和木犀草素为黄芩的潜在标志物。此外，黄芩在建模后显著改善了间质和肺泡水肿、出血和肺泡塌陷，同时降低了炎症因子的表达。代谢组学显示，黄芩显著调节了37种代谢物的表达，主要涉及苯丙氨酸、酪氨酸和色氨酸生物合成途径。网络药理学表明，这五种生物标志物可通过关键靶点SRC、ESR1、HSP90AA1、EGFR调节代谢物的表达，从而发挥抗肺炎病毒的作用。研究结果表明，黄芩苷、黄芩素、汉黄芩素、汉黄芩苷和木犀草素是黄芩治疗病毒性肺炎的主要Q-标志物。
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