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New copper(I) complexes [CuCl(PPh 3 )(L)] ( 1:  L = L A  = 4-carboxyphenyl)bis(3,5-dimethylpyrazolyl)methane; ( 2:  L = L B  = 3-carboxyphenyl)bis(3,5-dimethylpyrazolyl)methane) were prepared and characterised by elemental analysis and various spectroscopic techniques such as FT-IR, NMR, UV–Vis, and ESI-MS. The molecular structures of complexes  1  and  2  were analyzed by theoretical B3LYP/DFT method. Furthermore,  in vitro  DNA binding studies were carried out to check the ability of complexes  1  and  2  to interact with native calf thymus DNA (CT-DNA) using absorption titration, fluorescence quenching and circular dichroism, which is indicative of more avid binding of the complex  1 . Moreover, DNA mobility assay was also conducted to study the concentration-dependent cleavage pattern of pBR322 DNA by complex  1 , and the role of ROS species to have a mechanistic insight on the cleavage pattern, which ascertained substantial roles by both hydrolytic and oxidative pathways. Additionally, we analyzed the potential of the interaction of complex  1  with DNA and enzyme (Topo I and II) with the aid of molecular modeling. Furthermore, cytotoxic activity of complex  1  was tested against HepG2 cancer cell lines. Thus, the potential of the complex  1  is promising though further  in vivo  investigations may be required before subjecting it to clinical trials.

scientific reports

Heteroleptic Copper(I) Complexes of “Scorpionate” Bis-pyrazolyl Carboxylate Ligand with Auxiliary Phosphine as Potential Anticancer Agents: An Insight into Cytotoxic Mode