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首页> 外文期刊>RSC Advances >Potential mechanism of action of Ixeris sonchifolia extract injection against cardiovascular diseases revealed by combination of HPLC-Q-TOF-MS, virtual screening and systems pharmacology approach
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Potential mechanism of action of Ixeris sonchifolia extract injection against cardiovascular diseases revealed by combination of HPLC-Q-TOF-MS, virtual screening and systems pharmacology approach

机译：Ixeris Sonchifolia提取物注射液的潜在作用机制，通过HPLC-Q-TOF-MS，虚拟筛选和系统药理学方法组合揭示的心血管疾病

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Ixeris sonchifolia extract injection, a Chinese medicine preparation named as Kudiezi injection (KDZI) in China, has been widely used for the treatment of cardiovascular diseases (CVDs) in recent years. Owing to the component complexity of the preparation, the study on the effect mechanism of the herbal medicine against CVDs is a big challenge. In this research, HPLC-Q-TOF-MS was used to analyze the constituents of the preparation, disclosing that the KDZI mainly consists of 10 ingredients, namely 3-caffeoylquinic acid (KDZI-1), 4-caffeoylquinic acid (KDZI-2), 5-caffeoylquinic acid (KDZI-3), apigenin-7- O -β- D -glucuronide (KDZI-4), caffeic acid (KDZI-5), chicoric acid (KDZI-6), caftaric acid (KDZI-7), luteolin-7- O -β- D -gentiobioside (KDZI-8), luteolin-7- O -β- D -glucopyranoside (KDZI-9) and luteolin-7- O -β- D -glucuronide (KDZI-10). Afterwards, target fishing and an integrated systems pharmacology approach combined with molecular docking (Sybyl 1.3 and AutoDock Vina) were adopted to predict the potential targets and pathways for the main ingredients in KDZI. As results, 39 protein targets and 9 KEGG pathways, possessing high relevance to the therapeutic effects of the ingredients of KDZI against CVDs, were screened out reasonably. The integrated pharmacology analysis suggested that KDZI could exert its therapeutic effects against CVDs possibly via multi-targets including EGFR, MAPK10, and SRC and multi-pathways referring to MAPK, focal adhesion, complement and coagulation cascades, etc . This research provides insights into understanding the comprehensive therapeutic effect and mechanism of the KDZI on CVDs.
机译：Ixeris Sonchifolia提取物注射，中医准备被称为Kudiezi注射（KDZI），已广泛用于近年来治疗心血管疾病（CVDS）。由于制备的组分复杂性，对草药对CVDS的影响机制的研究是一个很大的挑战。在该研究中，HPLC-Q-TOF-MS用于分析制剂的成分，公开了KDZI主要由10种成分组成，即3-咖啡算法（KDZI-1），4-咖啡算法（Kdzi-2） ），5-咖啡算法（Kdzi-3），Apigenin-7-O-β-d-葡糖苷（Kdzi-4），咖啡酸（Kdzi-5），氟酸（Kdzi-6），Cafetaric acid（Kdzi- 7），Luteolin-7-O-β-d -gentiobioside（Kdzi-8），叶黄素-7-β-d-葡糖苷（Kdzi-9）和Luteolin-7-O-β-d-葡糖苷（Kdzi -10）。之后，采用靶捕鱼和集成系统药理学方法与分子对接（Sybyl 1.3和Autodock Vina）进行，以预测KDZI主要成分的潜在靶标和途径。随着结果，合理筛选出与kdzi成分的治疗效果高的39个蛋白靶标和9kegg途径。综合药理分析表明，KDZI可能通过包括EGFR，MAPK10和SRC和MAPK，局灶性粘附，补充和凝固级联等的多目标来对CVDS对CVDS发挥其治疗效应。本研究提供了了解了解kdzi对CVDS的综合治疗效果和机制的见解。

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