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首页> 外文期刊>RSC Advances >A combination of metabolite profiling and network pharmacology to explore the potential pharmacological changes of secoisolariciresinol-diglycoside
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A combination of metabolite profiling and network pharmacology to explore the potential pharmacological changes of secoisolariciresinol-diglycoside

机译：代谢物分析和网络药理学的组合探讨了Secoisolariciresinol-Digwlycoside的潜在药理变化

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The prototypes and metabolites formed from the use of traditional Chinese medicines (TCM) are typically the cause of both side side-effects and therapeutic results. Therefore, the characterization of in vivo substances and the determination of functional changes are of great importance for clinical applications. Secoisolariciresinol-diglycoside (SDG), one major compound in flaxseeds, was used as a potential drug to treat tumors in the clinic; however, the metabolism information and functional changes of SDG in vivo were limited, which limited its application. In this study, an integrated strategy based on metabolite profiling and network pharmacology was applied to explore the metabolism feature and functional changes of SDG. As a result, a total of 28 metabolites were found in rats, including 14 in plasma, 22 in urine, 20 in feces, 7 in the heart, 14 in the liver, 8 in the spleen, 10 in the lungs, 14 in the kidneys, and 4 in the brain. Among them, M8 , M13 and M26 were the main metabolites of SDG in rats and 24 were characterized for the first time. The metabolic reactions contained phase I reactions of demethylation, dehydroxylation, deglycosylation, arabinosylation and glycosylation, and phase II reactions of glucuronidation and sulfation were also observed. Notably, the arabinosylation and glycosylation were found in SDG for the first time. Meanwhile, 121 targets of SDG and its metabolites were found, PRKCB was the main target of SDG, and the metabolites of SDG mainly targeted HSP90A1, IL6, AKT1, MAPK3, MTOR, PIK3CA, SRC, ESR1, AR, PIK3CB, and PIK3CB. The difference of targets between SDG and its metabolites could result in its additional functional pathways of neurotrophin signaling pathway, PI3K-Akt signaling pathway, HIF-1 signaling pathway or indications of anti-prostate cancer. This work provided a new insight for exploring the mechanism and therapy indications of drugs.
机译：由传统中药（TCM）的原型和代谢物通常是副作用和治疗结果的原因。因此，对体内物质的表征和功能变化的测定对于临床应用具有重要意义。 Secoisolariciresinol-Digwycoside（SDG），亚麻籽中的一个主要化合物，用作诊所治疗肿瘤的潜在药物;然而，体内SDG的新陈代谢信息和功能变化是有限的，限制其应用。在本研究中，应用了基于代谢物分析和网络药理学的综合策略来探讨SDG的代谢特征和功能变化。结果，在大鼠中发现总共28种代谢物，其中血浆中的14例，尿液中的22例，粪便20例，心脏7例，肝脏中的14个，脾脏中的8个，肺中的8个，肺部10，14肾脏和4在大脑中。其中，M8，M13和M26是大鼠SDG的主要代谢物，第一次表征24。还观察到所含有代谢反应的代谢反应，含有去甲基化，脱羟基化，脱糖基化，阿拉伯糖基化和糖基化的反应，以及葡糖醛酸化和硫化的相铁反应。值得注意的是，第一次在SDG中发现阿拉伯化酶和糖基化。同时，发现了121个SDG靶标及其代谢物，PRKCB是SDG的主要靶标，SDG的代谢物主要是靶向HSP90A1，IL6，AKT1，MAPK3，MTOR，PIK3CA，SRC，ESR1，AR，PIK3CB和PIK3CB。 SDG与其代谢物之间的靶标差异可能导致其神经营养素信号通路，PI3K-AKT信号通路，HIF-1信号通路或抗前列腺癌的指示的额外功能途径。这项工作为探索药物的机制和治疗指标提供了新的洞察力。

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