兰化碳胺复合物:合成,光谱表征,DFT洞察,分子对接和生物评估
Nora S Mohamed1, Mahmoud M A Mohamed2, Mohamed R Shehata3
1Chemistry Department, Faculty of Science, New Valley University, Alkharga, 72511, Egypt. norasaad@sci.nvu.edu.eg.
Scientific reports
|February 11, 2026
概括
合成和表征了与碳胺 (CBZ) 结合的新型胺复合物. 这些复合物表现出显著的抗微生物和抗癌活性,La (III) 复合物显示出最高的疗效和结合亲和力.
科学领域:
- 无机化学 无机化学
- 药用化学 医学化学
- 计算化学的计算化学
背景情况:
- 兰化物复合物因其多样化的应用而受到探索.
- 卡巴马泽 (CBZ) 是一种抗药物,具有潜在的治疗用途.
- 开发具有增强生物活性的新型金属复合物对于药物发现至关重要.
研究的目的:
- 为了合成和表征新型兰坦化物 (La(III),Ce(III),Nd(III),Dy(III)) 复合物与卡巴马泽 (CBZ).
- 评估这些合成复合物的抗微生物,抗真菌和抗癌特性.
- 通过分子对接来研究结合相互作用和潜在的治疗机制.
主要方法:
- 使用分析和光谱技术合成和表征兰化物复合物.
- 评估抗微生物活性对抗阳性和阴性细菌.
- 对人类癌细胞系 (Hep-G2,MCF-7) 的细胞毒性评估和IC50值的确定.
- 使用MOA2022软件进行分子对接研究,以预测与目标受体的结合亲缘关系.
主要成果:
- 成功合成了四种具有1:2 (Ln3+:CBZ) 立体几何和八面体几何的新型兰坦化物复合物.
- 合成的复合物显示出显著的抗微生物和抗真菌活性.
- 这些复合物对Hep-G2和MCF-7癌细胞系表现出强烈的细胞毒性,IC50值处于微分子范围.
- 分子对接显示,La(III) 复合物具有与细菌和癌症相关受体的最高结合亲和力.
结论:
- 合成的兰化物-CBZ复合物是晶体的,具有有前途的抗菌和抗癌潜力.
- 拉III复合物表现出优越的生物活性和结合亲和力,表明其作为治疗剂的潜力.
- 这些发现突显了新型兰坦化物复合物的治疗前景,可以对抗传染病和癌症.
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