来自鱼的新型抗氧化的识别和分子机制:一个结合量子化学和分子模拟的量子化学
Chaonan Sun1, Yingnan Liu1, Shiyang Liu1
1College of Food Science and Engineering, Bohai University, National & Local Joint Engineering Research Center of Storage, Processing and Safety Control Technology for Fresh Agricultural and Aquatic Products, Jinzhou, Liaoning 121013, China.
Food chemistry
|September 6, 2024
概括
鱼含有抗氧化,可以防止氧化应激. 分子模拟揭示了这些如何与Keap1受体结合,揭示了它们的抗氧化机制.
科学领域:
- 食品科学 食品科学 食品科学
- 生物化学 生化学
- 分子生物学分子生物学
背景情况:
- 鱼是一种发酵的鱼类产品,在长时间发酵后表现出抗氧化特性.
- 假设鱼中存在生物活性抗氧化.
研究的目的:
- 从发酵鱼中分离,净化和识别抗氧化.
- 通过分子模拟来阐明这些的抗氧化机制.
主要方法:
- 鱼的发酵过程
- 的分离和净化方法
- 分子对接模拟分子对接模拟
- 结合力和结合点的分析.
主要成果:
- 确定了五种潜在的抗氧化 (FS4-1,FS4-2,FS4-3,FS6-1,FS6-2).
- 表明可以与Keap1受体接.
- 确定了关键的结合点和作用力 (范德瓦尔斯,键),确定了Met残留物是关键的.
结论:
- 在发酵鱼中存在抗氧化.
- 分子模拟通过Keap1受体相互作用提供了对抗氧化剂作用机制的洞察.
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