本文描述了一系列新型铜(II)基设计金属络合物[Cu2(acdp)(μ-Cl)(H2O)2] (1), [Cu2(acdp)(μ-NO3)(H2O)2] (2)和[Cu2(acdp)(μ-O2CCF3)(H2O)2] (3)的系统研究，包括设计与合成、物理化学性质和光谱特性，以及潜在的抗癌活性。这些络合物使用螯合配体H3acdp (H3acdp = N,N'-双[蒽-2-基甲基]-N,N'-双[羧甲基]-1,3-丙二醇)作为多功能有机组装的前体。1-3的合成在易于实验条件下完成，保持其在溶液中的总体完整性。聚环芘骨架的纳入增加了产物络合物的亲脂性，从而决定了细胞吸收程度和生物活性的改善。1-3的结构通过元素分析、摩尔电导、FTIR、UV-Vis吸/荧光发射滴定光谱、PXRD和TGA/DTA研究以及DFT计算进行了表征。在HepG2癌细胞系中，1-3的细胞毒性显示出显著的抗癌作用，而在暴露于正常L6骨骼肌细胞系时则没有这种细胞毒性。随后，研究了参与HepG2癌细胞毒性过程的信号因子。在1-3的存在下，细胞色素c和Bcl-2蛋白的表达水平发生变化，线粒体膜电位(MMP)发生调节，强烈暗示着激活线粒体介导的细胞凋亡通路，进而阻断癌细胞的增殖。然而，在其生物效能的比较评估中，1在HepG2细胞系中的细胞毒性，核凝集、DNA结合和损伤、ROS产生率以及细胞增殖率方面均高于2和3，表明1的抗癌活性显著高于2和3.Copyright © 2023 Elsevier Inc. All rights reserved.

The present article describes the systematic study on design and synthesis, physicochemical properties and spectroscopic features, and potential anticancer activities of a family of novel copper(II)-based designer metal complexes [Cu2(acdp)(μ-Cl)(H2O)2] (1), [Cu2(acdp)(μ-NO3)(H2O)2] (2) and [Cu2(acdp)(μ-O2CCF3)(H2O)2] (3) of anthracene-appended polyfunctional organic assembly, H3acdp (H3acdp = N,N'-bis[anthracene-2-ylmethyl]-N,N'-bis[carboxymethyl]-1,3-diaminopropan-2-ol). Synthesis of 1-3 was accomplished under facile experimental conditions, preserving their overall integrity in solution. The incorporation of polycyclic anthracene skeleton within the backbone of organic assembly increases lipophilicity of resulting complexes, thereby dictating the degree of cellular uptake with improved biological activity. Complexes 1-3 were characterized by elemental analysis, molar conductance, FTIR, UV-Vis absorption/fluorescence emission titration spectroscopy, PXRD and TGA/DTA studies, including DFT calculations. The cellular cytotoxicity of 1-3 when studied in HepG2 cancer cell line showed substantial cytotoxic effects, whereas no such cytotoxicity was observed when exposed to normal L6 skeletal muscle cell line. Thereafter, the signaling factors involved in the process of cytotoxicity in HepG2 cancer cells were investigated. Alteration of cytochrome c and Bcl-2 protein expression levels along with modulation of mitochondrial membrane potential (MMP) in the presence of 1-3, strongly suggested the possibility of activating mitochondria-mediated apoptotic pathway involved in halting the cancer cell propagation. However, when a comparative assessment on their bio-efficacies was made, 1 showed higher cytotoxicity, nuclear condensation, DNA binding and damage, ROS generation and lower rate of cell proliferation compared to 2 and 3 in HepG2 cell line, indicating that the anticancer activity of 1 is significantly higher than that of 2 and 3.Copyright © 2023 Elsevier Inc. All rights reserved.