Establishing Detection Methods for Okadaic Acid Aptamer-Target Interactions: Insights from Computational and Experimental Approaches

文献类型： 外文期刊

第一作者： Shan, Wenchong

作者： Shan, Wenchong;Wang, Jing;Shan, Wenchong;Wang, Jing;Shan, Wenchong;Wang, Jing;Sun, Jiefang;Liu, Runqing;Shao, Bing;Shao, Bing;Shao, Bing;Shao, Bing

作者机构：

关键词： okadaic acid; aptamer; binding interactions; food safety; molecular docking simulations; marine toxins

期刊名称：FOODS （ 影响因子：5.1； 五年影响因子：5.6 ）

ISSN：

年卷期： 2025 年 14 卷 5 期

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收录情况： SCI

摘要： The binding interactions between okadaic acid (OA) aptamers and OA molecules are crucial for developing effective detection methods. This study aims to identify the recognition site and establish a reliable detection protocol through computational simulations and experimental validations. After determining the target sequence (OA-2), molecular docking simulations using Sybyl-X and H-dock were conducted to predict the binding affinity and interaction sites of OA aptamers with their targets. These predictions were subsequently validated through experiments based on the F & ouml;rster resonance energy transfer (FRET) principle. The combined approach not only confirmed the computational predictions, identifying the "major region" as the recognition basis of OA-2, but also provided deeper insights into the binding mechanisms. Subsequently, a classical AuNPs-aptamer colorimetric detection method was established based on the OA-2 sequence and applied to the detection of real shellfish samples, achieving a limit of quantification (LOQ) of 5.0 mu g kg-1. The recoveries of OA in spiked samples ranged from 79.0% to 122.9%, with a relative standard deviation (RSD) of less than 14.7%. The results of this study contribute to the development of robust detection methods for OA aptamer-target interactions, enhancing the potential for practical applications in toxin detection and monitoring.

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