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合成,结构阐明和分子对接的二甲基衍生水金属复合物与抗炎和抗癌潜力

A M Abbas¹, H A Salem², A S Orabi³

¹Faculty of Science, Chemistry Department, Suez Canal University, Ismailia, 41522, Egypt. abbasmamdoh@science.suez.edu.eg.

Scientific reports

|November 26, 2025

概括

一种新的希夫基联结体及其金属复合物显示出强大的抗炎和抗癌活性. 该配体显示出显著的COX-2抑制,而铜和加多复合体对癌细胞表现出强烈的细胞毒性,超过标准药物.

科学领域:

协调化学协调化学
药用化学医学化学
计算化学计算化学

背景情况:

希夫基联体及其金属复合物被用于各种生物应用.
迪克洛芬雅克衍生物正在探索其增强的抗炎和抗癌特性.

研究的目的:

合成和表征一种新的希夫基联结体及其金属复合物.
评估合成化合物的抗炎和抗癌潜力.
使用in silico方法研究分子相互作用和药理动力学概况.

主要方法:

希夫基联体的合成和与Cu (II),Ni (II),Co (II),Gd (III),La (III) 和Ag (I) 离子的复合.
使用FTIR,UV-Vis,NMR,ESR,XRD,热分析和磁感应度进行表征.
在体外抗炎试验 (COX-1/COX-2抑制) 和细胞毒性试验 (MTT).
在体研究中,包括分子对接和ADME分析.

主要成果:

配体 (HDN) 显示出强大的COX-2抑制 (IC50 = 0.06μM) 具有高选择性 (SI = 174.5).
(II) 和Gd (III) 复合体对MCF-7和HepG-2癌细胞系表现出显著的细胞毒性 (IC50值在0.65至2.47μM之间).
分子对接揭示了HDN连接体和Cu (II) 复合体对COX-2,HepG-2和MCF-7受体的强烈结合亲缘关系.
在ADME分析中,预测了金属复合物的良好的药物动力学特性.

结论:

合成的希夫基联体及其金属复合物具有有前途的双重抗炎和抗癌活性.
高密度NN连接体及其Cu (II) 复合体显示出作为治疗剂的潜力,需要进一步研究.
这些发现支持用于联合治疗应用的二甲衍生的希夫基础金属复合物的开发.

关键词:

抗炎药物抗炎药物抗炎药物这是一种抗癌药物.由狄克洛芬雅克衍生而来的化.在状的中.在体外 (in vitro) 的情况下.金属复合物的金属复合物

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