Synthesis, Spectral Characterization, DNA/ Protein Binding, DNA Cleavage, Cytotoxicity, Antioxidative and Molecular Docking Studies of Cu(II)Complexes Containing Schiff Base-bpy/Phen Ligands

Abstract

Ternary Cu(II) complexes [Cu(II)(L)(bpy)Cl] 1, [Cu(II)(L)(Phen)Cl] 2 [L = 2,3-dimethyl-1-phenyl-4(2 hydroxy-5-methyl benzylideneamino)-pyrazol-5-one, bpy = 2,2 bipyridine, phen =1,10 phenanthroline) were synthesized and characterized by elemental analyses, UV-Visible, FT-IR, ESR, Mass, thermogravimetric and SEM EDAX techniques. The complexes exhibit octahedral geometry. The interaction of the Cu(II) with cailf thymus DNA (CT-DNA) was explored by using absorption and fluorescence spectroscopic methods. The results revealed that the complexes have an affinity constant for DNA in the order of 10 M and mode of interaction is intercalative mode. The DNA cleavage study showed that the complexes cleaved DNA without any external agent. The interaction of Cu(II) complexes with bovine serum albumin (BSA) was also studied using absorption and fluorescence techniques. The cytotoxic activity of the Cu(II) complexes was probed in HeLa (human breast adenocarcinoma cell line), B16F10 (Murine melanoma cell line) and HEPA1-6 celllines, complex 1 has good cytotoxic activity which is comparable with the doxarubicin drug, with IC values ranging from 3 to 12.6 μM. A further molecular docking technique was employed to understand the binding of the complexes towards the molecular target DNA. Investigation of the antioxidative properties showed that the metal complexes have significant radical scavenging activity potency against DPPH radical.

Spectral and Biological Studies on New Mixed Ligand Complexes

“…The characteristic absorption bands in the IR spectra were represented in Table 2. A medium band at 1654 cm -1 was attributed to stretching mode of the C=N in 2,9-dimethyl-1,10-phenanthroline [24][25][26][27]. This band was shifted to lower frequency (30)(31)(32)(33)(34)(35)(36)(37)(38) in the complexes which clearly indicated the coordination of the two nitrogen atoms with metal ion.…”

Synthesis, characterization and biological activity of mixed ligand chelates of Ni(II) with pyridoxalthiosemicarbazone and dipeptides

“…Molecular Docking studies Docking studies of the interaction of metal complexes with DNA was carried out in Autodock 4.2 as reported. [38,39] Crystal structure of DNA was downloaded from protein data bank (www.rcsb.org)pdb id: 1N37, [40] which was prepared by protein preparation wizard applying OPLS 2005 force field in Schrodinger suite. A grid was prepared around the intercalation site by selecting the cocrystallized ligand.…”

Crystal Structure, Hirshfeld Surface Analysis, and Biological Activities of Schiff-Base Derivatives of 4-Aminoantipyrine

“…15,16 They also have strong radical scavenging and AChE enzyme inhibition activity, 17−20 as well as antibacterial and antifungal activities against several pathogens. 21,22 The mechanism of action of 4-AAP compounds is thought to involve their ability to interact with biological macromolecules such as proteins 23,24 This article is licensed under CC-BY-NC-ND 4 and DNA, causing changes in their structure and function; 25,26 as a result, they have great potential as candidates for developing new drugs to treat a wide range of diseases.…”

“…A wide range of biological activities, including anti-leishmanial, analgesic, anti-inflammatory, anticancer, and antiviral activities, has been reported for Schiff bases. , They also have strong radical scavenging and AChE enzyme inhibition activity, − as well as antibacterial and antifungal activities against several pathogens. , The mechanism of action of 4-AAP compounds is thought to involve their ability to interact with biological macromolecules such as proteins , and DNA, causing changes in their structure and function; , as a result, they have great potential as candidates for developing new drugs to treat a wide range of diseases.…”