新合成的Ni的结构设计,抗癌评估和分子对接 (II) 复合物与ONS-捐赠者二甲基酸联体
Claudia C Gatto1, Cássia de Q O Cavalcante1, Francielle C Lima1
1University of Brasilia, Institute of Chemistry, Laboratory of Inorganic Synthesis and Crystallography, Brasília 70910-900, DF, Brazil.
Molecules (Basel, Switzerland)
|June 27, 2024
概括
三种新的 (II) 复合物与二甲基酸配体显示出强大的抗癌活性. 这些复合物与非恶性细胞 (MCF-10A) 相比,对人类乳腺癌细胞 (MCF-7) 具有选择性毒性,而复合物2是有前途的治疗候选者.
科学领域:
- 无机化学 无机化学 有机化学
- 协调化学 协调化学
- 材料科学 材料科学 材料科学
背景情况:
- 滴二甲基酸连接体是多功能合剂.
- 尼克尔 (II) 复合物因其多样化的应用而被探索.
- 了解非共价相互作用对于材料和药物化学至关重要.
研究的目的:
- 合成和描述新的 (II) 滴氧碳酸盐复合物.
- 研究这些复合物的结构,光谱和物理化学特性.
- 评估复合体对人类乳腺癌和非恶性细胞系的细胞毒性影响.
主要方法:
- 单晶X射线衍射用于结构确定.
- 物理化学和光谱分析 (例如,IR,UV-Vis).
- 对非共价相互作用的希尔什菲尔德表面分析.
- 在MCF-7和MCF-10A细胞系上进行体外细胞毒性测定 (IC50测定).
- 分子对接研究. 分子对接研究.
主要成果:
- 合成了三种具有扭曲正方形平面几何的单核Ni(II) 复合体:[Ni(L1) PPh3] (1),[Ni(L2) PPh3] (2),[Ni(L2) Py] (3).
- 赫什菲尔德表面分析确定了π⋅⋅⋅π堆积和C-H···H/N键作为主要的非共价相互作用.
- 所有复合物都对恶性 (MCF-7) 和非恶性 (MCF-10A) 乳腺细胞表现出强大的抑制作用.
- 1-3复合体对MCF-7细胞的IC50值较低,表明对癌细胞的选择性毒性.
- 综合体2通过分子对接研究而成为一个有希望的候选者.
结论:
- 合成的Ni(II) 滴氧碳酸盐复合物具有独特的结构特征和显著的细胞毒性活性.
- 这些复合体显示出选择性向乳腺癌细胞的潜力.
- 对复合体2进行进一步的研究是有必要的,因为它可能在癌症治疗中具有治疗用途.
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