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解读扁角菌蚊亚科中的生物发光现象:来自反向虚拟筛选和富氏奥菲丽菌蚊转录组的计算见解

Decoding bioluminescence in Keroplatinae: computational insights from inverse virtual screening and the transcriptome of Orfelia fultoni.

作者信息

Virgens Graziela Sória, Silva Jaqueline Rodrigues, Viviani Vadim R, Amaral Danilo Trabuco

机构信息

Laboratório de Bioinformática Para Bioprospecção e Mineração de Dados Ômicos, Centro de Ciências Naturais e Humanas, Universidade Federal do ABC (UFABC), Avenida dos Estados, 5001, Bloco A, Room 504-3, Santo André, São Paulo, ZIP 09210-580, Brazil.

Departament of Physics, Chemistry and Mathematics, Federal University of São Carlos, Sorocaba, Brazil.

出版信息

Photochem Photobiol Sci. 2025 Jul;24(7):1217-1222. doi: 10.1007/s43630-025-00750-7. Epub 2025 Jun 19.

DOI:10.1007/s43630-025-00750-7
PMID:40536614
Abstract

Bioluminescence is a natural occurrence found in a wide array of species, encompassing both marine and terrestrial life. Among the less-understood bioluminescent systems is the one found within the Keroplatinae subfamily, which may use riboflavin and a precursor of the 3-hydroxykynurenic acid as substrates to produce light. However, the luciferase and other proteins used to produce bioluminescence remain unknown. Here, we employed inverse virtual screening (IVS), utilizing the transcriptome of Orfelia fultoni, an organism within this subfamily. Our analysis led to the identification of 2868 theoretical structures. We identified 11 proteins that could be associated with the bioluminescent process, including hexamerin-like proteins, NADPH-cytochrome P450 reductase, heat shock protein HSP90, V-ATPase subunit A, and enzymes related to fatty acid metabolism. Further exploration unveiled a trimeric structure of hexamerins, showing binding interactions with riboflavin and 3-hydroxykynurenic acid. We proposed a mechanism for bioluminescence in O. fultoni, involving hexamerins and NADPH-cytochrome P450 reductase. This study enhances our understanding of bioluminescence, contributing to the broader field of evolutionary biology, emphasizing adaptations to specific environments.

摘要

生物发光是一种在广泛物种中自然发生的现象,涵盖海洋和陆地生物。在了解较少的生物发光系统中,有一个存在于扁角菌蚊亚科内,该系统可能利用核黄素和3-羟基犬尿氨酸的一种前体作为底物来产生光。然而,用于产生生物发光的荧光素酶和其他蛋白质仍然未知。在这里,我们利用扁角菌蚊亚科中的一种生物富尔顿奥菲丽菌蚊的转录组进行了反向虚拟筛选(IVS)。我们的分析鉴定出了2868种理论结构。我们确定了11种可能与生物发光过程相关的蛋白质,包括类六聚蛋白、NADPH-细胞色素P450还原酶、热休克蛋白HSP90、V-ATP酶亚基A以及与脂肪酸代谢相关的酶。进一步的探索揭示了六聚蛋白的三聚体结构,显示出与核黄素和3-羟基犬尿氨酸的结合相互作用。我们提出了富尔顿奥菲丽菌蚊生物发光的一种机制,涉及六聚蛋白和NADPH-细胞色素P450还原酶。这项研究增进了我们对生物发光的理解,为进化生物学这一更广泛的领域做出了贡献,强调了对特定环境的适应性。

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本文引用的文献

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Riboflavin Is Directly Involved in N-Dealkylation Catalyzed by Bacterial Cytochrome P450 Monooxygenases.核黄素直接参与细菌细胞色素 P450 单加氧酶催化的 N-去烷基化反应。
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