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化学化合物、抗氧化活性以及荷叶提取物的体外和计算机模拟溶石作用。

Chemical compounds, antioxidant activity, and in vitro and in silico litholytic effects of Zizyphus lotus extracts.

机构信息

Laboratory of Human Pathologies Biology, Department of Biology, Faculty of Science, Mohammed V University Rabat, 67, Bd My Abdelhafid, Rabat, El Jadida, Morocco, Phone: 00212674158222.

Laboratory of Human Pathologies Biology, Department of Biology, Faculty of Science, Mohammed V University Rabat, Rabat, Morocco.

出版信息

J Basic Clin Physiol Pharmacol. 2020 Mar 27;31(3):/j/jbcpp.2020.31.issue-3/jbcpp-2019-0091/jbcpp-2019-0091.xml. doi: 10.1515/jbcpp-2019-0091.

DOI:10.1515/jbcpp-2019-0091
PMID:32229663
Abstract

Background The aim of this study was to evaluate the antioxidant activity and to determine the chemical compounds of organic extracts of fruits and leaves of Zizyphus lotus. The litholytic effect was determined on the basis of the in vitro effect of the aqueous extracts on the formation of crystals of stones. Finally, chemical compounds were investigated to identify their target using an in silico approach. Methods The antioxidant activity was determined with the diphenylpicrylhydrazyl radical trapping method. An aliquot of 2 mL of urine and 100 μL of an infusion of fruit and leaf aqueous extract of Z. lotus at different concentrations were used. The induction of calcium oxalate (CaOx) crystals was done by the addition of oxalic acid at 0.1 mol/L. The effect of aqueous extracts was compared with two inhibitors (citrate and magnesium) used as references. In silico modelization was carried out using SwissTargetPrediction. Results The antioxidant activity test showed that the methanol extract was active with an IC50 of 5 mg/mL. The aqueous extracts of fruits and leaves inhibit the formation of crystals of CaOx. Then, the composition of the methanol extracts of the leaves and fruits in high-performance liquid chromatography showed majority compounds such as quercetin-3-galactoside and hyperin. In silico assays showed that the identified molecules exert their effect by targeting enzymes responsible for calcium regulation, urate regulation, and maintenance of acid-base balance, and that had anti-inflammatory properties. Conclusions The present study showed that Z. lotus may be considered as a functional or nutraceutical food. However, further studies should be carried out in order to extract and purify these compounds to test their effect on urinary lithiasis.

摘要

背景

本研究旨在评估 Zizyphus lotus 的果实和叶子的有机提取物的抗氧化活性,并确定其化学成分。根据水提物对结石晶体形成的体外作用,确定了溶石作用。最后,通过计算方法研究了化学物质,以确定其靶标。

方法

采用二苯代苦味肼基自由基捕获法测定抗氧化活性。使用 2 mL 尿液和不同浓度的 Z. lotus 果实和叶子水提物的 100 μL 等分试样。通过添加 0.1 mol/L 的草酸诱导草酸钙(CaOx)晶体的形成。将水提取物的作用与两种抑制剂(柠檬酸盐和镁)进行比较,作为参考。使用 SwissTargetPrediction 进行计算模型化。

结果

抗氧化活性测试表明,甲醇提取物具有活性,IC50 为 5 mg/mL。果实和叶子的水提取物抑制 CaOx 晶体的形成。然后,高效液相色谱法显示叶子和果实的甲醇提取物的组成主要含有槲皮素-3-半乳糖苷和金丝桃苷等化合物。计算分析表明,鉴定出的分子通过靶向负责钙调节、尿酸调节和酸碱平衡维持的酶发挥作用,并且具有抗炎特性。

结论

本研究表明,Z. lotus 可以被视为功能性或营养食品。然而,为了提取和纯化这些化合物以测试它们对尿路结石的作用,应该进行进一步的研究。

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