Synthesis, characterization, molecular docking, DNA cleavage properties, and antimicrobial activity studies of mixed ligand complexes

Abstract

Cu (II), Ni (II), Co (II), and Mn (II) acetato in addition to Cu (II) chloro and nitrato mixed ligand complexes of 4-([quinolin-2-yl]methyleneamino)-1,-2-dihydro-2,3-dimethyl-1-phenylpyrazol-5-one (L), as a primary ligand and 2,4-dihydroxy benzaldehyde (H 2 L), as a secondary ligand have been isolated. The structural features and geometrical arrangements of the synthesized mixed ligand complexes were identified by elemental analysis, Fourier transform infrared spectroscopy (FT-IR), conductivity measurements, UV-Vis spectra, magnetic moment measurements, X-ray diffraction, and electron spin resonance (ESR) spectral and thermogravimetric techniques studies of the mixed ligand complexes confirming the molar ratio 1:1:1 (primary ligand: M: secondary ligand) for Cu (II), Co (II), Mn (II), and UO 2 (II) chelates. The spectral techniques also confirmed the metal chelates have the formulae (Cu[H 2 L][L][X] 2 ), where X = Cl À (1); NO 3 À (2); and (M[L][HL][OAc])YH 2 O, where M = Cu (II) (3), Co (II) (4); Y = 1, Mn (II) (5); Y = 1 and UO 2 (II) (6); Y = 2. The kinetic and thermodynamics parameters of the mixed ligand complexes at different decomposition steps were calculated using Coast-Redfern and Horowiz-Metzger methods. Also, the antimicrobial activities of ligands and their mixed ligand complexes were screened by Disc Diffusion method. It was found that all mixed ligand complexes (1-6) have high antibacterial activity against Klebsiella pneumoniae than penicillin G. By studying the molecular docking between the quinoline-2-carbaldehyde, the ligand and the receptors (Escherichia coli (PDB code: 3t88), Staphylococcus aureus (PDB code: 3q8u),lung cancer (PDB code: 1x2j), and colon cancer (PDB code: 2hq6)), it was found that the ligand is efficient compound for all the receptors than the quinoline-2-carbaldehyde. The DNA cleavage properties of the two ligands and their complexes have been investigated by gel electrophoresis and the results showed that complex (1) without H 2 O 2 and complex (6) with H 2 O 2 exhibited a significant partial oxidative cleavage among other complexes.

Synthesis and biological evaluation of titanium dioxide/thiopolyurethane composite: anticancer and antibacterial effects

“…Benzyl penicillin or penicillin G (the used antibiotic) generally has poor gram-negative activity, on the other hand, if it was dissolved in an organic solvent such as DMF which had synergistic effects, via damage to the bacterial membranes, that increased its potency by providing greater access to the periplasm/peptidoglycan. Literature value ranges for minimum inhibition concentration (MIC) of penicillin G against E. coli (ATCC 25922) were recorded as 16–64 µg/mL and inhibition zones ranged from 25–45 mm [ 65 – 70 ]. While Hossain et al described E. coli (ATCC 25922) as an intermediate-resistant bacteria that had a MIC of penicillin G reaching 16 μg/mL [ 71 ].…”

New Benzimidazole‐Based Fe (III) and Cr (III) Complexes: Characterization, Bioactivity Screening, and Theoretical Implementations Using DFT and Molecular Docking Analysis

“…[6,7,[12][13][14] Mixed ligand complexes have numerous uses in the production of materials, catalysis, and luminescence. [15,16] Because of iron's low toxicity and cost, iron complexes in particular are emerging as promising catalysts. [17] Because of the frequent occurrence of mixed chelation in biological fluids, mixed ligand complexes play a significant role in biological and catalytic chemistry.…”