POCOP-Ni（II）钳形聚合物的合成及细胞毒活性研究

IF 3.3 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Dalton Transactions Pub Date : 2025-10-14 DOI:10.1039/d5dt01322d

Juan Sebastián Serrano-García, Andrés Amaya-Flórez, Antonino Arenaza-Corona, María Teresa Obdulia Ramírez-Apan, Adrian L. Orjuela, Jorge Alí-Torres, Marcos Flores-Alamo, Simon Hernandez Ortega, Patricia Cano-Sánchez, David Morales-Morales

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引用次数: 0

摘要

合成了6个含morpholino-s-三嗪基团的POCOP-Ni（II）配合物（2,3a, 3b, 4,5,6），并对其进行了表征。配合物2和3a的结构通过单晶x射线衍射确定，在金属中心周围呈现扭曲的方平面几何形状。基于这些结构，利用Hirshfeld表面进行了超分子分析，确定了分子间氢键和π··π堆叠相互作用。所有复合物对6种癌细胞系和1种非癌细胞系（COS7）的抗增殖活性进行了评价。复合物3a和3b的抗增殖活性最高，主要针对白血病（K562）， IC50值分别为0.55±0.04µM和0.59±0.04µM。其作用机制包括溴化乙啶（EB）在DNA内的竞争性荧光位移，以及与DNA和PI3K的分子对接。

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Synthesis and cytotoxic activity of morpholino-s-triazine derivatives of POCOP-Ni(II) pincers

Six POCOP-Ni(II) complexes (2, 3a, 3b, 4, 5, 6) bearing a morpholino-s-triazine moiety were synthesized and fully characterized. The structures of complexes 2 and 3a were determined by single-crystal X-ray diffraction, revealing a distorted square-planar geometry around the metal center. Based on these structures a supramolecular analysis using Hirshfeld surfaces was also carried out, identifying intermolecular hydrogen bonding and π··π stacking interactions. The antiproliferative activity of all complexes was evaluated against six cancer cell lines and a non-cancerous cell line (COS7). Complexes 3a and 3b exhibited the highest antiproliferative activity mainly against leukemia (K562), with IC50 values of 0.55 ± 0.04 µM and 0.59 ± 0.04 µM, respectively. A study of mechanism of action includes ethidium bromide (EB) competitive fluorescence displacement within DNA, and molecular docking with DNA and PI3K.

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来源期刊

Dalton Transactions 化学-无机化学与核化学

CiteScore

6.60

自引率

7.50%

发文量

1832

审稿时长

1.5 months

期刊介绍： Dalton Transactions is a journal for all areas of inorganic chemistry, which encompasses the organometallic, bioinorganic and materials chemistry of the elements, with applications including synthesis, catalysis, energy conversion/storage, electrical devices and medicine. Dalton Transactions welcomes high-quality, original submissions in all of these areas and more, where the advancement of knowledge in inorganic chemistry is significant.