来自Amomum villosum的抗氧化剂芳香化合物和活性成分的目标预测
Junming Liang1, Yang Xu1, Jinxia Chen1
1Wuya College of Innovation, Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016, China.
Bioorganic chemistry
|April 18, 2024
概括
Amomum villosum的茎和叶子含有各种芳香化合物,包括新的芳香化合物. 化合物5通过向PGAM5蛋白质表现出抗氧化作用,揭示了潜在的药物和食品应用.
科学领域:
- 植物化学 植物化学
- 药理学 药理学是指药理学的学科.
- 药用化学 医学化学
背景情况:
- Amomum villosum的果实以其生物活性成分而闻名,用于食品和医药.
- A. villosum的茎和叶子通常被丢弃作为农业废物.
- 最近对A. villosum的兴趣凸显了其在食品添加剂和药物开发方面的潜力.
研究的目的:
- 从A. villosum的茎和叶子中分离和识别芳香化合物.
- 评估分离化合物的抗氧化活性.
- 使用网络药理学和CETSA识别活性化合物的分子标.
主要方法:
- 提取和分离十四种芳香化合物 (五种新,九种已知).
- 使用UV,ECD,光学旋转,1D/2D-NMR和HR-ESI-MS进行结构阐明.
- 在体外抗氧化剂测定BV-2细胞,网络药理学,CETSA和分子对接.
主要成果:
- 从A. villosum的果实,茎和叶子中确定了14种芳香化合物.
- 化合物5显示出显著的抗氧化作用.
- 糖酸基酶5 (PGAM5) 被确定为化合物5.5的分子标.
- 分子对接证实了化合物5和PGAM5.5之间的键相互作用.
结论:
- A. villosum在水果,茎和叶子中都具有丰富的生物活性芳香化合物.
- 来自A. villosum的化合物5显示出有前途的抗氧化特性.
- 将PGAM5确定为标验证了A. villosum衍生化合物的治疗潜力.
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