A new mixed‐ligand coordination polymer based on V‐shape carboxylate and pyridinyl co‐linkers: Crystal structure, molecular docking, and antibladder cancer activity evolution

• Published in: Journal of the Chinese Chemical Society (Taipei) 2020-05, Vol.67 (5), p.766-774
• Main Authors: Chen, Si, Liu, Wei‐Juan, Lin, Ming‐En, He, Xue‐Jun, Hong, Ying‐Kai
• Format: Article
• Language: English
• Subjects: bladder cancer; coordination polymer; Cu(II)‐complex; mixed ligand; molecular docking
• ISSN: 0009-4536; 2192-6549
• DOI: 10.1002/jccs.201900279

By applying the mixed‐ligand approach, a new Cu(II)‐containing coordination polymer [Cu4(L)4(4,4′‐bpy)(H2O)2]·3H2O (1) was successfully prepared through hydrothermal method using linear 4,4′‐bipyridine (4,4′‐bpy) and the V‐shape carboxylate ligand 4,4′‐(phenylazanediyl)dibenzoic acid (H2L). The as‐prepared complex 1 was determined by single‐crystal X‐ray crystallography and elemental analysis. Furthermore, we use the grinding method to prepare the samples of complex 1 in the nanoscale. In this research, the CCK‐8 was performed first to detect the inhibitory activity of complex 1 on J82 bladder cancer cell viability. The apoptotic effect of complex 1 on J82 cancer cells was evaluated by Annexin V‐FITC/PI staining. The reactive oxygen species (ROS) was also detected by detection kit in this study after complex 1 treatment. Beyond the experimental results, the molecular docking technique has been used to probe the anticancer activity that originated at the molecular level. A new Cu(II)‐containing coordination polymer and its nanoparticle were prepared, and the anticancer activity of the Cu(II)‐based nanoparticles was studied both experimentally and computationally.