基的密度功能理论引导的照片触发的抗癌活性 (II) 复合物
Rajesh Kushwaha1, Virendra Singh2, Silda Peters3
1Department of Chemistry, Indian Institute of Technology (BHU), Varanasi, Uttar Pradesh 221005, India (Email: samya.chy@itbhu.ac.in).
The journal of physical chemistry. B
|November 21, 2023
概括
这项研究增强了黄素的功效.
科学领域:
- 协调化学 协调化学
- 摄影化学的使用.
- 癌症治疗方法 癌症治疗方法
背景情况:
- 光动力疗法 (PDT) 是一种有前途的癌症治疗方法,副作用较少.
- 黄素的临床使用受到生物可用性差的限制.
- 开发新的光敏感剂对于推动PDT至关重要.
研究的目的:
- 通过Zn (II) 复合,增强黄素的生物可用性和PDT疗效.
- 为了合成和表征新型Zn(II) - 黄素复合物.
- 为了研究改进的光敏剂的结构-活性关系.
主要方法:
- 用N^N和O^O连接体合成和表征Zn(II) 复合物.
- 用于结构确定的X射线晶体学.
- 光物理研究,TD-DFT计算和单点氧气生成试验.
- 使用MCF-7癌细胞进行体外研究.
- 分子对接和动力学模拟.
主要成果:
- 合成和描述了2和3的Zn(II) 复合物.
- 综合体2和3展示了高效的可见光触发单点氧气生成.
- 这些复合体在光照照射下在癌细胞中表现出强烈的亡性抗癌活性.
- 分子对接揭示了与caspase-9和p-53强烈的结合亲和关系,这对亡至关重要.
结论:
- 复合物Zn (II) - 黄素显著提高了生物可用性和PDT的疗效.
- 综合体2和3是有效的可见光光敏化剂,具有抗癌性质.
- 这些复合物通过与关键蛋白质如caspase-9和p-53相互作用来诱导亡.
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