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Sparganin A alleviates blood stasis syndrome and its key targets by molecular docking

机译：Sparganin A通过分子对接缓解血瘀综合征及其主要靶点

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Blood stasis syndrome is implicated in the development of chronic conditions, including cardio- and cerebrovascular diseases. Cyclo-(Tyr-Leu), named Sparganin A (SA), is a compound isolated from the ethanol extract of Rhizoma Sparganii. Here, the successful extraction of SA from Rhizoma Sparganii was verified by extensive spectral analysis using ~(1) H NMR and ~(13) C NMR. To determine the biological effects of SA, a mouse model of acute blood stasis was established by subcutaneous injection of adrenaline hydrochloride and placing the animals in an ice water bath. In this model, the concentration of TXB2, PAI-1, FIB, ET-1 was measured by ELISA, and thymus index (TI), hepatic index (HI), and spleen index (SI) were calculated. Molecular docking by SYBYL and functional analysis of the putative targets by STRING and Cytoscape were employed to identify the key targets of SA. The accumulated results documented that SA exhibits anticoagulative activity, and its key targets are VEGFA and SERPINE1. SA may be involved in the pathological process of complement and coagulation cascades. This study demonstrates that SA may be a promising drug to control coagulation in blood stasis syndrome.
机译：血瘀综合征与包括心血管和脑血管疾病在内的慢性疾病的发展有关。名为Sparganin A（SA）的Cyclo-（Tyr-Leu）是从鼠根草的乙醇提取物中分离的化合物。在这里，使用〜（1）H NMR和〜（13）C NMR通过广泛的光谱分析验证了从根茎中成功提取SA。为了确定SA的生物学效应，通过皮下注射盐酸肾上腺素并将动物置于冰水浴中建立了小鼠急性血瘀模型。在该模型中，通过ELISA测量TXB2，PAI-1，FIB，ET-1的浓度，并计算胸腺指数（TI），肝指数（HI）和脾指数（SI）。利用SYBYL进行分子对接，并通过STRING和Cytoscape对推测的靶标进行功能分析，以鉴定SA的关键靶标。累积的结果证明SA具有抗凝活性，其主要靶标是VEGFA和SERPINE1。 SA可能参与补体和凝血级联的病理过程。这项研究表明SA可能是控制血瘀综合征凝血的一种有前途的药物。

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