Characterization of new Co(II) complexes and photographic monitoring for their toxic impact on breast cancer cells according to simulation study,Applied Organometallic Chemistry

当前位置： X-MOL 学术 › Appl. Organomet. Chem. › 论文详情

Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)

Characterization of new Co(II) complexes and photographic monitoring for their toxic impact on breast cancer cells according to simulation study
Applied Organometallic Chemistry ( IF 3.7 ) Pub Date : 2020-07-16 , DOI: 10.1002/aoc.5886
Reem Shah ₁ , Turki M. Habeebullah ₂ , Fawaz Saad ₁ , Ismail Althagafi ₁ , Aisha Y. Al‐dawood ₁ , Amerah M. Al‐Solimy ₁ , Zehba A. Al‐Ahmed ₃ , Fatimah Al‐Zahrani ₄ , Thoraya A. Farghaly _{1,

5} , Nashwa El‐Metwaly _{1,

6}

Affiliation

Five new nitrogen‐rich ligands (thioanhydrides) were synthesized and fully characterized. Then, their corresponding Co(II) complexes were prepared and also elucidated by analytical and spectral conformational techniques. First of all, the mono‐negative tri‐dentate mode was proposed with all derivatives towards mono‐nuclear central atom. According to ligand field transitions and magnetic susceptibility values, the square‐planar as well as octahedral geometries were the forms suggested. The presence of water molecules was investigated thermally. For conformational implementation under optimal conditions, energy minimization was carried out and fundamental data were obtained and studied. In silico investigation was carried out using the MOE docking approach to predict the inhibition activity for the new compounds. The Co(II)–3e complex played an excellent inhibitory role. After that and based on preliminary results, in vitro antitumor screening against MCF‐7 cell line was conducted for all Co(II) complexes. The results were consistent with that for standard drug (doxorubicin), and the inhibition feature for the complexes was ranked. Through photographic monitoring, outstanding inhibition activity towards breast cancer spreading was recorded for the Co(II)–3e complex, which coincides well with MOE docking data.

中文翻译：

根据模拟研究表征新的Co（II）配合物并通过照相监控其对乳腺癌细胞的毒性影响

合成了五个新的富氮配体（硫代酸酐）并进行了充分表征。然后，制备了它们相应的Co（II）配合物，并通过分析和光谱构象技术进行了阐明。首先，提出了单负三齿模式，其中所有衍生物都朝向单核中心原子。根据配体场跃迁和磁化率值，建议采用方形平面和八面体几何形状。通过热研究水分子的存在。为了在最佳条件下进行构象，进行了能量最小化并获得和研究了基础数据。电脑使用MOE对接方法进行了研究，以预测新化合物的抑制活性。Co（II）–3e复合物发挥了出色的抑制作用。之后，根据初步结果，对所有Co（II）复合物进行了针对MCF-7细胞系的体外抗肿瘤筛选。结果与标准药物（阿霉素）一致，并对复合物的抑制特征进行了排名。通过照相监控，发现Co（II）-3e复合物具有出色的抑制乳腺癌扩散的活性，这与MOE对接数据非常吻合。

更新日期：2020-09-14

点击分享查看原文

点击收藏

阅读更多本刊最新论文本刊介绍/投稿指南11