Combined in silico investigation and in vitro characterization of the zearalenone detoxification potential of dye-decolorizing peroxidase from Bacillus subtilis 168
Combined in silico investigation and in vitro characterization of the zearalenone detoxification potential of dye-decolorizing peroxidase from Bacillus subtilis 168
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DOI：
10.1016/j.foodcont.2022.109549
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发表时间：
2022-12
期刊：
影响因子：
6
通讯作者：
Yongpeng Guo;Yanan Wang;Yu Tang;Qiugang Ma;C. Ji;Lihong Zhao
中科院分区：
文献类型：
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作者：
Yongpeng Guo;Yanan Wang;Yu Tang;Qiugang Ma;C. Ji;Lihong Zhao
玉米赤霉烯酮（ZEN）是常见于食品中最具危害性的真菌毒素之一，对人类健康造成严重的安全风险。本文采用计算和实验相结合的方法研究了枯草芽孢杆菌168染料脱色过氧化物酶BsDyP的ZEN解毒潜力。分子对接和动力学模拟表明，BsDyP可以使ZEN结合在血红素的γ-边缘和表面暴露的氧化还原活性Tyr 335残基上。在大肠杆菌中表达的重组BsDyP能以H_2O_2为电子受体直接氧化83%的ZEN。在pH 5.0 ~ 10.0范围内，2，2′-连氮基-双-（3-乙基苯并噻唑啉-6-磺酸）（ABTS）作为BsDyP的氧化还原介体可使ZEN的降解率提高到98%以上. BsDyP催化的ZEN降解可被视为解毒，因为转化产物显示出更少的雌激素活性。此外，采用葡萄糖氧化酶（GOD）和BsDyP组成的双酶体系降解玉米浆中的ZEN，降解率达到33%。研究结果表明，BsDyP可以开发为一种生物催化剂，用于解毒受污染的食品和饲料中的ZEN。
Zearalenone (ZEN), one of the most hazardous mycotoxins commonly present in food, causes severe safety risks to human health. In this work, the ZEN detoxification potential of dye-decolorizing peroxidase BsDyP from Bacillus subtilis 168 was investigated by a combined computational and experimental study. Molecular docking and dynamics simulation suggested that BsDyP could allow the binding of ZEN at the γ-edge of heme and surface exposed redox-active Tyr335 residue. Consistently, the recombinant BsDyP expressed inEscherichia coliwas found to be capable of directly oxidizing 83% of ZEN with H2O2as an electron acceptor. Moreover, the presence of 2, 2′-azino-bis-(3-ethylbenzothiazoline-6-sulphonic acid) (ABTS) as a redox mediator of BsDyP could enhance ZEN degradation to more than 98% in the pH range of 5.0–10.0. BsDyP-catalyzed ZEN degradation could be regarded as detoxification as the transformation product displayed much less estrogenicity. Moreover, bi-enzymes system including glucose oxidase (GOD) and BsDyP was applied to degrade ZEN in contaminated corn steep liquor and achieved a 33% degradation percentage. The findings suggested that BsDyP could be developed as a biocatalyst for detoxification of ZEN in contaminated food and feed.