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合成,结构研究,DNA/BSA相互作用,分子对接研究,以及一种新的1,4-非替代1,2,3-三醇衍生物的抗癌活性

Tolga Göktürk¹, Esin Sakallı Çetin², Tuncer Hökelek³

¹Department of Chemistry, Muğla Sıtkı Koçman University, 48000 Muğla, Türkiye.

|September 11, 2023

概括

一种新的1,2,3-triazole衍生物被合成和特征化,通过诱导通过线粒体膜潜在损失和活性氧物种生成的亡,对Caco-2细胞具有显著的抗癌活性.

科学领域:

药用化学医学化学
有机合成有机合成
晶体学晶体学是指结晶学.

背景情况:

1,2,3-二醇衍生物是药物化学中的多功能支架.
铜(I) 催化亚酸循环添加 (CuAAC) 是合成三醇化合物的可靠方法.
了解分子相互作用和晶体包装对于药物设计至关重要.

研究的目的:

为了合成和表征一种新的1,2,3-triazole衍生物.
为了研究它的DNA/牛血清白蛋白 (BSA) 结合特性.
评估其体外抗癌活性和作用机制.

主要方法:

通过铜 (I) 催化亚酸环添加 (CuAAC) 进行合成.
使用FTIR,NMR,UV-vis,元素分析和X射线晶体学进行结构性表征.
在体外抗癌试验 (MTT,Annexin V,MMP,ROS) 和在体内DNA/BSA结合研究.

主要成果:

一种新的1,2,3-triazole衍生物被成功合成和表征.
该化合物通过介质与DNA结合,并通过极性/疏水性相互作用与BSA结合.
它对Caco-2细胞 (IC50 = 16.63 ± 0.27 μM) 显示出强烈的细胞毒性活性,通过ROS生成和MMP损失诱导细胞亡.

结论:

合成的1,2,3-triazole衍生物作为抗癌剂具有前途.
它的机制涉及通过ROS生成和MMP破坏诱导亡.
对其治疗潜力的进一步研究是有必要的.

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