张挺锋,杨丽佳,刘洋,刘鹏龙,赵翊君,张远红,张业辉,赵甜甜

• 1:仲恺农业工程学院轻工食品学院
• 2:广东省农业科学院蚕业与农产品加工研究所
• 3:农业农村部功能食品重点实验室
• 4:广东省农产品加工重点实验室

摘要(Abstract)：

探究咸味肽与不同咸味受体(如TMC4、ASIC1、TRPV1)的结合模式是深入理解咸味感知机制的重要环节。目前研究多聚焦于咸味肽与TMC4受体的互作，而与ASIC1、TRPV1、ASIC1的结合机制尚待深入解析。为此，该研究先通过虚拟筛选从已报道的咸味肽及潜在的肽库中结合生物活性、毒性等性质的预测结果进行综合评估，最终从141条预测肽中筛选出18条兼具多种功能活性的潜在咸味肽。进一步借助BIOPEP-UWM预测这18条肽的潜在活性。通过分子对接可知，18条肽均可与咸味受体结合，其中ADHDLPF和KDINNRF表现出较强的结合能。同时对结合成的复合物进行分子间作用力分析，发现咸味肽与受体的结合除氢键外，还存在盐桥等多种关键作用力。最后通过对IMODS分析，ASIC1的结合稳定性最佳。而MM-GBSA计算进一步显示，ADHDLPF与TPRV1的复合物及KDINNRF与ASIC1的复合物均具有良好的稳定性。该研究旨在为深入揭示咸味肽的构效关系与咸味信号感知的分子机制提供理论依据。

关键词(KeyWords)： 咸味肽;虚拟筛选;咸味受体;分子模拟;互作机制

Abstract:

Keywords:

基金项目(Foundation): 国家重点研发计划项目(2024YFF1106000);; 广州市基础与应用基础研究优秀博士“续航”项目(2025A04J5346);; 广东省自然科学基金面上项目(2025A1515010320);; 广东省农业科学院青年研究员人才培养项目(R2023PY-QY011);; 江门市关键核心技术“揭榜挂帅”制项目(2023780200070009226)

作者(Author): 张挺锋,杨丽佳,刘洋,刘鹏龙,赵翊君,张远红,张业辉,赵甜甜

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