立体阻碍的甲基基衍生的希夫基:设计,合成,SAR分析和抗氧化活性的机制
Maxim Gvozdev1, Iveta Turomsha2, Nikolai Osipovich3
1Faculty of Chemistry, Belarusian State University 4 Independence Avenue 220030 Minsk Belarus.
RSC medicinal chemistry
|January 21, 2026
概括
这项研究揭示了新的固体阻碍醇表现出动态的抗氧化活性,根据结构和条件在原子转移和电子转移途径之间切换. 醇衍生物显示出高激素清除能力,但在酸性条件下功效降低.
科学领域:
- 药用化学 医学化学
- 有机化学 有机化学
- 计算化学计算化学
背景情况:
- 固态阻碍类是具有显著激素调节性质的氧化还原活性化合物.
- 了解它们的抗氧化机制对于设计有效的治疗剂至关重要.
研究的目的:
- 为了研究24种新型的固体阻碍的甲基基醇衍生的希夫基的体外抗氧化活性.
- 阐明结构-活性关系和潜在的抗氧化机制.
主要方法:
- 使用了DPPH,ABTS,FRAP和CUPRAC的激素清除和降解潜力测试.
- 使用循环电压测量和密度函数理论 (DFT) 的计算 (B3LYP/6-311++G(d,p)).
主要成果:
- 抗氧化剂活性高度依赖结构,在HAT和ET途径之间有动态切换.
- 电子捐赠小组增强了活动;电子吸收小组减少了它. 醇衍生物显示出可变的强度.
- 确定了正基,二硫化物和添加物作为关键的转化产物.
结论:
- 抗氧化机制因测试条件而异,涉及HAT,ET,SET-PT和SPLET通路.
- 哈梅特常数可以预测DPPH测定在近离子溶剂中的行为.
- 这些发现为新型抗氧化剂的合理设计提供了洞察力.
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