中文摘要：霉菌毒素是真菌次生代谢物，污染食品和饲料，引起人畜一系列食源性疾病。通过酶降解减少霉菌毒素含量是一种确保食品和料安全、解决将来全球贸易和可持续发展问题的策略。然而，活性酶的探寻仍然复杂而费时。生物信息学分析可以大力支撑该研究，它为合理设计更有效的实验提供循证等级化酶。总之，3D建模被证明是一种评估酶-底物相互作用的有效的分析工具，并为早期探寻降解酶提供坚实的立足点。
外文摘要：Mycotoxins are secondary metabolites of fungi that contaminate food and feed, and are involved in a series of foodborne illnesses and disorders in humans and animals. The mitigation of mycotoxin content via enzymatic degradation is a strategy to ensure safer food and feed, and to address the forthcoming issues in view of the global trade and sustainability. Nevertheless, the search for active enzymes is still challenging and time-consuming. The in silico analysis may strongly support the research by providing the evidence-based hierarchization of enzymes for a rational design of more effective experimental trials. The present work dealt with the degradation of aflatoxin B₁ and M₁ by laccase enzymes from Trametes versicolor. The enzymes-substrate interaction for various enzyme isoforms was investigated through 3D molecular modeling techniques. Structural differences among the isoforms have been pinpointed, which may cause different patterns of interaction between aflatoxin B₁ and M₁. The possible formation of different products of degradation can be argued accordingly. Moreover, the laccase gamma isoform was identified as the most suitable for protein engineering aimed at ameliorating the substrate specificity. Overall, 3D modeling proved to be an effective analytical tool to assess the enzyme-substrate interaction and provided a solid foothold for supporting the search of degrading enzyme at the early stage.
外文关键词：aflatoxins；biotransformation；enzymatic detoxification；laccase；mild technologies；food safety；mycotoxins mitigation Authors:Dellafiora, L；Galaverna, G；Reverberi, M；Dall'Asta, C
作者：Dellafiora, L；Galaverna, G；Reverberi, M；Dall'Asta, C
作者单位：Univ Parma
期刊名称：TOXINS
期刊影响因子：3.571
出版年份：2017
出版刊次：1
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