Li Zheng, Qu Biao, Zhou Lei, Chen Hongwei, Wang Jue, Zhang Wei, Chen Caifa
Jiangsu Engineering Research Center of Cardiovascular Drugs Targeting Endothelial Cells, College of Health Sciences, School of Life Sciences, Jiangsu Normal University, Xuzhou, China.
State Key Laboratory of Natural and Biomimetic Drugs, Peking University, Beijing, China.
Front Pharmacol. 2021 Sep 24;12:748684. doi: 10.3389/fphar.2021.748684. eCollection 2021.
Benth. (OSB) is a well-known herbal medicine exerting various pharmacological effects and medicinal potentials. Owing to its complex of phytochemical constituents, as well as the ambiguous relationship between phytochemical constituents and varied bioactivities, it is a great challenge to explore which constituents make a core contribution to the efficacy of OSB, making it difficult to determine the efficacy makers underlying the varied efficacies of OSB. In our work, a new strategy was exploited and applied for investigating efficacy markers of OSB consisting of phytochemical analysis, absorption analysis, bioactive compound screening, and bioactive compound quantification. Using liquid chromatography coupled with mass spectrometry, a total of 34 phytochemical components were detected in the OSB extract. Subsequently, based on absorption analysis, 14 phytochemical constituents in the form of prototypes were retained as potential bioactive compounds. Ten diseases were selected as the potential indications of OSB based on previous reports, and then the overall interaction between compounds, action targets, action pathways, and diseases was revealed based on bioinformatic analysis. After refining key pathways and targets, the interaction reversing from pathways, targets to constituents was deduced, and the core constituents, including tanshinone IIA, sinensetin, salvianolic acid B, rosmarinic acid, and salvigenin, were screened out as the efficacy markers of OSB. Finally, the contents of these five constituents were quantified in three different batches of OSB extracts. Among them, the content of salvianolic acid B was the highest while the content of tanshinone IIA was the lowest. Our work could provide a promising direction for future research on the quality control and pharmacological mechanism of OSB.
唇形科植物(OSB)是一种著名的草药,具有多种药理作用和药用潜力。由于其植物化学成分复杂,以及植物化学成分与多种生物活性之间的关系不明确,探索哪些成分对OSB的疗效起核心作用是一项巨大挑战,这使得难以确定OSB多种功效背后的药效标志物。在我们的研究中,开发并应用了一种新策略来研究OSB的药效标志物,该策略包括植物化学分析、吸收分析、生物活性化合物筛选和生物活性化合物定量。使用液相色谱-质谱联用技术,在OSB提取物中总共检测到34种植物化学成分。随后,基于吸收分析,14种原型形式的植物化学成分被保留为潜在的生物活性化合物。根据先前的报道,选择了10种疾病作为OSB的潜在适应症,然后基于生物信息学分析揭示了化合物、作用靶点、作用途径和疾病之间的整体相互作用。在完善关键途径和靶点后,推导了从途径、靶点到成分的反向相互作用,并筛选出丹参酮IIA、橙皮素、丹酚酸B、迷迭香酸和 salvigenin等核心成分作为OSB的药效标志物。最后,对三批不同的OSB提取物中这五种成分的含量进行了定量。其中,丹酚酸B的含量最高,而丹参酮IIA的含量最低。我们的工作可为未来OSB质量控制和药理机制的研究提供一个有前景的方向。