Damoc Madalin, Stoica Alexandru-Constantin, Zaltariov Mirela-Fernanda, Peptanariu Dragos, Dascalu Mihaela, Cazacu Maria
Department of Inorganic Polymers, 'Petru Poni' Institute of Macromolecular Chemistry, Iasi, Romania.
Centre of Advanced Research in Bionanoconjugates and Biopolymers, 'Petru Poni' Institute of Macromolecular Chemistry, Iasi, Romania.
R Soc Open Sci. 2025 Jul 2;12(7):250279. doi: 10.1098/rsos.250279.
A complex of Co(II), , with a salen-type Schiff base ligand, , having a siloxane spacer, was evaluated from the perspective of anti-cancer activity in comparison with a newly synthesized homologue under similar conditions, , but with a ligand with hexamethylene bridge, . Molecular docking simulations were used to estimate the possible interactions of the two cobalt complexes and their parent ligands with some key proteins involved in cancer development, the results indicating that the silicon derivatives are more potent anti-tumours. This is attributed to the conformational flexibility of the siloxane segment that favours establishing interactions with biological targets. Cytotoxicity assays against two cancer cell lines (MCF-7 and HeLa) also demonstrated significantly higher activity and selectivity for the siloxane-containing complex compared with its fully organic ligand-based counterpart. The cytotoxicity of this complex on MCF-7 cell line showed a considerable effect at IC of 22.61 μM, compared with the one shown by of 43.82 μM. The dual experimental and theoretical approach provides valuable insights into the potential of designing Schiff base complexes with optimized therapeutic profiles and highlights the importance of the silicon structural motif in improving the efficacy of metal-based anti-tumour agents.
对一种含有硅氧烷间隔基的Co(II)与salen型席夫碱配体形成的配合物，在相似条件下与一种新合成的同系物进行抗癌活性方面的评估，该同系物含有六亚甲基桥的配体。分子对接模拟用于估计这两种钴配合物及其母体配体与一些参与癌症发展的关键蛋白质的可能相互作用，结果表明硅衍生物是更有效的抗肿瘤剂。这归因于硅氧烷链段的构象灵活性，有利于与生物靶点建立相互作用。针对两种癌细胞系（MCF-7和HeLa）的细胞毒性试验也表明，与基于完全有机配体的对应物相比，含硅氧烷的配合物具有显著更高的活性和选择性。该配合物对MCF-7细胞系的细胞毒性在IC为22.61 μM时显示出相当大的效果，相比之下，[此处原文缺失具体物质]的IC为43.82 μM。这种实验和理论相结合的方法为设计具有优化治疗特性的席夫碱配合物的潜力提供了有价值的见解，并突出了硅结构基序在提高金属基抗肿瘤剂疗效方面的重要性。
