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在食品衍生生物活性的发现中,和分子对接方法:趋势,挑战和前景

Brij Pal Singh¹, Souparno Paul², Pedro Ferreira-Santos³

¹University Centre for Research and Development (UCRD), Chandigarh University, Mohali 140413, Punjab, India.

Food research international (Ottawa, Ont.)

|November 21, 2025

概括

在 silico 方法加快了食品衍生生物活性 (BAP) 的发现,为传统生产提供了可持续的替代方案. 像分子对接这样的计算方法增强了BAP的食品和制药应用研究.

科学领域:

生物化学生物化学
计算生物学计算生物学
食品科学食品科学食品科学

背景情况:

来自食品蛋白质的生物活性 (BAP) 显示出健康益处,但传统生产速度缓慢且昂贵.
在 silico 方法提供高通量选,用于 BAP 发现和应用在食品和药品中.
最近在蛋白质结构预测方面的进展提高了计算方法的可靠性.

研究的目的:

审查食品衍生生物活性 (BAP) 发现计算方法的最新发展.
突出在BAP研究中的in silico方法的可行性和可持续性.
讨论用于BAP发现和验证的计算工具的集成.

主要方法:

探索in silico BAPs生产和分子对接的进展.
使用计算工具评估生物活性,毒性和过敏性.
讨论连接体/受体制备和分子模拟技术.

主要成果:

包括分子对接在内的in silico方法通过预测结合亲和关系和相互作用,显著加快了BAP研究.
计算方法使高通量选和BAP的战略利用成为可能.
该审查强调了计算策略在识别新型BAP方面的进展和潜力.

结论:

In silico技术正在改变BAP的研究,为传统方法提供了更有效和可预测的替代方案.
对对接算法的进一步改进和与实验选的整合对于验证至关重要.
计算方法对识别具有治疗潜力的新型食品衍生BAP具有重大前景.

关键词:

生物活性酸是一种生物活性酸.在状的中.连接物连接物连接物分子对接是分子对接.接收器接收器接收器有毒性有毒性

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