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基于谱效关系分析和网络药理学筛选温郁金根茎活血化瘀活性成分

Screening of blood-activating active components from Curcuma wenyujin Y.H. Chen et C. Ling rhizome based on spectrum-effect relationship analysis and network pharmacology.

机构信息

College of pharmacy, Guizhou University of Traditional Chinese Medicine, Guizhou (550025), China; College of pharmacy, Zhejiang Chinese Medical University, Hangzhou (310053), China.

College of pharmacy, Zhejiang Chinese Medical University, Hangzhou (310053), China.

出版信息

J Chromatogr B Analyt Technol Biomed Life Sci. 2022 Jan 1;1188:123022. doi: 10.1016/j.jchromb.2021.123022. Epub 2021 Nov 16.

Abstract

Curcuma wenyujin Y.H. Chen et C. Ling rhizome (also called EZhu in China) has long been used as plant medicine for its traditional effect on promoting blood circulation and remove blood stasis. However, the active components of EZhu are still unclear at present. This research is managed to investigate the pharmacodynamics material basis on removing blood stasis of EZhu by exploring the spectrum-effect relationship between UPLC-Q/TOF-MS fingerprints and pharmacologic actions. Hemorheology and related functional parameters were detected to evaluate the pharmacologic actions of EZhu. Relative content Changes of components in rat plasma were detected by UPLC-Q/TOF-MS. A compound-target-pathway network was built to predict the pharmacological activity of components in plasma. Then, bivariate correlation analysis (BCA) was used to explore the correlation degree between components in plasma and pharmacologic actions of EZhu. In UPLC-Q/TOF-MS fingerprints of rat plasma, 10 prototype components were identified. BCA results show that 8 components were concerned with the pharmacological activity for treating blood stasis syndrome (BSS) in varying degrees (R > 0.5, P < 0.05). Among them, zedoarofuran and curzerenone have shown correlation with more pharmacological indicators. The network predicted that 80 targets were closely related to 10 components, in which 48 targets were connected with 159 metabolic pathways including arachidonic acid metabolism, sphingolipid signaling pathway, and linoleic acid metabolism. Overall, this study provided a scientific basis for TCM quality control to ensure its safety and efficacy.

摘要

莪术根茎(在中国也称为莪术)作为一种植物药,长期以来一直因其促进血液循环和祛瘀的传统功效而被使用。然而,目前莪术的活性成分仍不清楚。本研究旨在通过探索 UPLC-Q/TOF-MS 指纹图谱与药理作用之间的谱效关系,研究莪术祛瘀的药效物质基础。通过检测血液流变学及相关功能参数来评估莪术的药理作用。通过 UPLC-Q/TOF-MS 检测大鼠血浆中成分的相对含量变化。建立了一个化合物-靶标-途径网络,以预测血浆中成分的药理活性。然后,采用双变量相关分析(BCA)探讨血浆中成分与莪术药理作用的相关程度。在大鼠血浆的 UPLC-Q/TOF-MS 指纹图谱中,鉴定出 10 个原型成分。BCA 结果表明,8 个成分与治疗血瘀证(BSS)的药理活性有不同程度的相关性(R>0.5,P<0.05)。其中,莪术呋喃和莪术酮与更多的药理指标表现出相关性。网络预测 80 个靶标与 10 个成分密切相关,其中 48 个靶标与包括花生四烯酸代谢、鞘脂信号通路和亚油酸代谢在内的 159 个代谢途径相关。总的来说,本研究为中药质量控制提供了科学依据,以确保其安全性和有效性。

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