Mixed-ligand Cu(II)-containing coordination polymer based on V-shape carboxylate and pyridinyl co-linkers: structural insights, molecular docking and anti-breast cancer activity evolution

Abstract

A new 2 D Cu(II)-based coordination polymer (CP) {[Cu5(Hcia)4(dpp)2(H2O)2(μ-OH)2]·2H2O}n (1) was designed and synthesized via using the mixed-ligand strategy, using 1,3-di(4-pyridyl)propane (dpp) colinker with a flexible spacer H3cia (H3cia: 5-(2-carboxybenzyloxy)isophthalic acid). Furthermore, we use the grinding method to downsize the complex 1 to nano-region (denoted as nano 1 hereafter). Furthermore, in order to determine the inhibitory effect of nano 1 on the viability of the BT474 breast cancer cells, the Cell Counting Kit-8 (CCK-8) was performed firstly. Then, the Annexin V-FITC/PI staining method was used to evaluate the BT474 breast cancer cells apoptosis levels after treated with nano 1. Next, the reactive oxygen species (ROS) detection kit was used in this study to determine the ROS level in the cancer cells after nano 1 treatment. By calculating posture scores and docking, the latent binding pattern of compound to receptor DNA were explored.

Keywords

• coordination polymer
• cu(ii)-complex
• cancer cell
• computational docking