Swaminathan Srividya, Haribabu Jebiti, Dharmasivam Mahendiran, Maroli Nikhil, Jayadharini Jayachandra Prakasan, Balakrishnan Nithya, Bhuvanesh Nattamai, Echeverria Cesar, Karvembu Ramasamy
Department of Chemistry, National Institute of Technology, Tiruchirappalli 620015, Tamil Nadu, India.
Facultad de Medicina, Universidad de Atacama, Los Carreras 1579, 1532502 Copiapo, Chile.
Inorg Chem. 2023 Feb 27;62(8):3679-3691. doi: 10.1021/acs.inorgchem.3c00073. Epub 2023 Feb 13.
We set out to design and synthesize bipodal ligands with the phenyl group as the spacer and varied the substitution on the spacer between (L1), (L2), and (L3). The respective ligands and complexes containing either -cymene () or benzene (-) as the arene unit were synthesized and characterized successfully. The influence of the ligands due to substitution change on their coordination behavior was quite minimal; however, the differences were seen in the anticancer activity of the complexes. DFT studies revealed the structural variations between the three different substitutions, which was further confirmed by single-crystal X-ray diffraction studies. The anticancer activity of the complexes could be correlated with their rate of hydrolysis and their lipophilicity index as determined by UV-visible spectroscopy. The cell death mechanism of the active complexes was deduced to be apoptotic via staining assays, flow cytometry, and Western blot analysis.
我们着手设计并合成以苯基为间隔基的双足配体，并改变间隔基上的取代基，得到（L1）、（L2）和（L3）。成功合成并表征了分别含有对异丙基苯（）或苯（-）作为芳烃单元的相应配体和配合物。取代基变化对配体配位行为的影响相当小；然而，在配合物的抗癌活性方面观察到了差异。密度泛函理论（DFT）研究揭示了三种不同取代基之间的结构变化，单晶X射线衍射研究进一步证实了这一点。通过紫外可见光谱法测定，配合物的抗癌活性与其水解速率和亲脂性指数相关。通过染色试验、流式细胞术和蛋白质印迹分析推断，活性配合物的细胞死亡机制为凋亡。
