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基于质谱分析和整合网络药理学筛选和分析冠心舒通胶囊的关键活性成分。

Screening and analysis of key active constituents in Guanxinshutong capsule using mass spectrum and integrative network pharmacology.

机构信息

School of Pharmacy, Health Science Center, Xi'an Jiaotong University, Xi'an 710061, China; Shaanxi Institute of International Trade & Commence, Xianyang 712046, China; Shaanxi Buchang Pharmaceutical Co. Ltd, Xi'an 710075, China.

Shannxi Academy of Traditionnal Chinese Medicine, Xi'an 710003, China.

出版信息

Chin J Nat Med. 2018 Apr;16(4):302-312. doi: 10.1016/S1875-5364(18)30060-8.

DOI:10.1016/S1875-5364(18)30060-8
PMID:29703330
Abstract

Guanxinshutong capsule (GXSTC) is an effective and safe traditional Chinese medicine used in the treatment of cardiovascular diseases (CVDs) for many years. However, the targets of this herbal formula and the underlying molecular mechanisms of action involved in the treatment of CVDs are still unclear. In the present study, we used a systems pharmacology approach to identify the active ingredients of GXSTC and their corresponding targets in the calcium signaling pathway with respect to the treatment of CVDs. This method integrated chromatographic techniques, prediction of absorption, distribution, metabolism, and excretion, analysis using Kyoto Encyclopedia of Genes and Genomes, network construction, and pharmacological experiments. 12 active compounds and 33 targets were found to have a role in the treatment of CVDs, and four main active ingredients, including protocatechuic acid, cryptotanshinone, eugenol, and borneol were selected to verify the effect of (GXSTC) on calcium signaling system in cardiomyocyte injury induced by hypoxia and reoxygenation. The results from the present study revealed the active components and targets of GXSTC in the treatment of CVDs, providing a new perspective to enhance the understanding of the role of the calcium signaling pathway in the therapeutic effect of GXSTC.

摘要

冠心舒通胶囊(GXSTC)是一种有效的、安全的传统中药,多年来一直用于治疗心血管疾病(CVDs)。然而,这种草药配方的靶点以及其治疗 CVDs 的作用的潜在分子机制仍不清楚。在本研究中,我们使用系统药理学方法来鉴定 GXSTC 的活性成分及其在钙信号通路中治疗 CVDs 的相应靶点。该方法整合了色谱技术、吸收、分布、代谢和排泄预测、京都基因与基因组百科全书分析、网络构建和药理学实验。发现 12 种活性化合物和 33 个靶点在治疗 CVDs 方面发挥作用,选择了 4 种主要的活性成分,包括原儿茶酸、隐丹参酮、丁香酚和龙脑,以验证 GXSTC 对缺氧再复氧诱导的心肌细胞损伤钙信号系统的影响。本研究揭示了 GXSTC 治疗 CVDs 的活性成分和靶点,为增强对钙信号通路在 GXSTC 治疗效果中的作用的理解提供了新的视角。

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