用于易于合成和双功能光开关的Phenolylazoindole支架,使用理论方法结合可控制的光和抗真菌特性
Haoran Hu1, Yu Liu2, Junqi Li1
1School of Chemical Engineering, Nanjing University of Science and Technology, Nanjing, Jiangsu 210094, China. hubc@njust.edu.cn.
Organic & biomolecular chemistry
|January 17, 2024
概括
基于烯胺醇衍生物的新型双功能基光开关显示出稳定的光物理性质和潜在的抗真菌活性. 这些化合物可以通过光进行调节,显示出作为分子开关和治疗剂的前景.
科学领域:
- 有机化学 有机化学
- 摄影化学的使用.
- 药用化学 医学化学
背景情况:
- 光开关的功能化对于其应用至关重要.
- 开发具有稳定的光物理性质的光开关是一个关键的挑战.
研究的目的:
- 设计和合成具有静止光物理性质的新型双功能光开关.
- 为了研究酸衍生物的光物理性质,光和抗真菌活性.
主要方法:
- 使用NMR光谱和HRMS进行合成和表征.
- 紫外线/紫外线和1HNMR光谱法以确定光静态状态 (PSS) 的比例.
- 热稳定性评估 (t1/2) 和光量子产量测量.
- 抗真菌活性测试和分子对接模拟.
主要成果:
- 甲醇衍生物显示稳定的PSS比例 (76-81%) 和可调节的热半衰期 (0.9-5.3小时).
- 化合物A4和B2表现出光辐射,量子产量分别为2.32%和13.34%.
- 化合物C1对R. solani,B. cinerea和F. graminearum表现出显著的抗真菌活性,其中cis-同位素更强效.
- 分子对接揭示了C1化合物有效地与酸脱酶 (SDH) 结合,cis-异构体具有较低的结合能.
结论:
- 甲二醇支架提供稳定的光开关特性,可通过功能组修改进行适应.
- 双功能化的光开关可以作为分子调节装置,并表现出有用的光和生物活动.
- 该研究强调了这些化合物作为光学控制的治疗剂的潜力,特别是在真菌感染中.
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