Rapid screening of xanthine oxidase inhibitors from Ligusticum wallichii by using xanthine oxidase functionalized magnetic metal-organic framework.

IF 3.8 2区化学 Q1 BIOCHEMICAL RESEARCH METHODS

Analytical and Bioanalytical Chemistry Pub Date : 2024-11-01 Epub Date: 2024-09-30 DOI:10.1007/s00216-024-05570-9

Yue Li, Hongmei Liu, Sikai Wang, Sisi Zhang, Wen Li, Guoqi Zhang, Yan Zhao

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Abstract

In this study, xanthine oxidase was immobilized for the first time using a novel magnetic metal-organic framework material (Fe₃O₄-SiO₂-NH₂@MnO₂@ZIF-8-NH₂). A ligand fishing method was established to rapidly screen XOD inhibitors from Ligusticum wallichii based on the immobilized XOD. Characterization and properties of the immobilized enzyme revealed its excellent stability and reusability. A ligand was screened from Ligusticum wallichii and identified as ligustilide by ultra-high performance liquid chromatography tandem mass spectrometry. The IC₅₀ value of ligustilide was determined to be 27.70 ± 0.13 μM through in vitro inhibition testing. Furthermore, molecular docking verified that ligustilide could bind to amino acid residues at the active site of XOD. This study provides a rapid and effective method for the preliminary screening of XOD inhibitors from complex natural products and has great potential for further discovery of anti-hyperuricemic compounds.

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利用黄嘌呤氧化酶功能化的磁性金属有机框架快速筛选藁本黄嘌呤氧化酶抑制剂。

本研究首次使用新型磁性金属有机框架材料（Fe3O4-SiO2-NH2@MnO2@ZIF-8-NH2）固定化了黄嘌呤氧化酶。在固定化 XOD 的基础上，建立了一种配体钓法，以快速筛选墙藁本中的 XOD 抑制剂。固定化酶的表征和特性表明其具有极佳的稳定性和可重复使用性。通过超高效液相色谱串联质谱法，从壁藁本中筛选出了一种配体，并确定其为藁本内酯。通过体外抑制测试，确定藁本内酯的 IC50 值为 27.70 ± 0.13 μM。此外，分子对接验证了女贞苷可与XOD活性位点的氨基酸残基结合。这项研究为从复杂的天然产物中初步筛选XOD抑制剂提供了一种快速有效的方法，为进一步发现抗高尿酸血症化合物提供了巨大的潜力。

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来源期刊

Analytical and Bioanalytical Chemistry 化学-分析化学

CiteScore

8.00

自引率

4.70%

发文量

638

审稿时长

2.1 months

期刊介绍： Analytical and Bioanalytical Chemistry’s mission is the rapid publication of excellent and high-impact research articles on fundamental and applied topics of analytical and bioanalytical measurement science. Its scope is broad, and ranges from novel measurement platforms and their characterization to multidisciplinary approaches that effectively address important scientific problems. The Editors encourage submissions presenting innovative analytical research in concept, instrumentation, methods, and/or applications, including: mass spectrometry, spectroscopy, and electroanalysis; advanced separations; analytical strategies in “-omics” and imaging, bioanalysis, and sampling; miniaturized devices, medical diagnostics, sensors; analytical characterization of nano- and biomaterials; chemometrics and advanced data analysis.