过渡金属复合物基于烯酸碳酸联体:光谱检查,DFT/TDDFT计算,细胞毒性和分子对接调查
Ayman H Ahmed1, Kamal A Soliman2, Saad Alrashdi1
1Department of Chemistry, College of Science, Jouf University, Sakaka, Aljouf 72341, Saudi Arabia.
ACS omega
|February 23, 2026
概括
一种新型的 - - - - - - - - - - - - - - - - - - 复合物 (Mn - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - CHB) 和它的联体物 (CHB) 被合成和特征化. --II-CHB复合物对人类肝癌细胞表现出显著的抗癌活性,为传统化疗提供了一个有前途的替代方案.
科学领域:
- 无机化学 无机化学
- 材料科学 材料科学 材料科学
- 药用化学 医学化学
背景情况:
- 传统的化疗药物往往缺乏选择性,导致健康组织受损.
- 开发具有降低毒性和提高疗效的新型抗癌药物对于治疗肝癌至关重要.
- 复合物由于其多样化的生物活动,具有作为治疗剂的潜力.
研究的目的:
- 合成和表征一种新型的 - - - - - - - - - - - - - - - - - - - 复合物 (Mn - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - CHB) 和它的配体 (CHB).
- 评估Mn-(II) -CHB对人类肝癌 (HepG-2) 细胞的抗癌潜力.
- 研究合成化合物的结构性,热性,磁性,光学和电子性质.
主要方法:
- 使用传统方法合成Mn-(II) -CHB复合物和CHB联体.
- 使用PXRD,TEM,TGA,DSC,UV-vis,FT-IR,MS,NMR和元素分析进行表征.
- 对HepG-2细胞的细胞毒性测试 (IC50测定) 和对PPAR的分子对接模拟 [PDB ID: 1i7i].
主要成果:
- 成功合成和表征了Mn-(II) -CHB复合物,表现出八面体几何和无形性质.
- TEM分析显示了粒子大小的显著减少 (28nm对于Mn-(II) -CHB而不是118nm对于CHB),表明纳米化合物形成.
- 与联体 (-7.4 kcalmol-1) 相比,Mn-(II) -CHB复合体对HepG-2细胞表现出强烈的细胞毒性 (IC50 = 66.78 ± 4.76 μM),与PPAR的结合亲和力 (-7.9 kcalmol-1) 增强,与联体 (-7.4 kcalmol-1) 相比.
结论:
- 合成的Mn-(II) -CHB复合物具有对人类肝癌有前途的抗癌特性.
- 颗粒大小的减少和变化的电子特性有助于增强生物活动.
- --CHB代表了开发用于肝癌治疗的新型,较少有毒的化疗剂的潜在候选者.
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