Synthesis, characterization, potential antimicrobial, antioxidant, anticancer, DNA binding, and molecular docking activities and DFT on novel Co(II), Ni(II), VO(II), Cr(III), and La(III) Schiff base complexes

Abstract

In this study, five novel complexes for Co(II), Ni(II), VO(II), Cr(III), and La(III) ions were synthesized from a tridentate NNO monobasic chelating Schiff base ligand, (Z)-2-((pyridin-2-ylimino)methyl)phenol (HL). Spectral and analytical tools were applied to elucidate the structural compositions of the new compounds. Then, geometry optimization was conducted for all the syntheses by the Gaussian 09 program via the density functional theory method to obtain optimal structures and the most essential parameters. Moreover, the biochemical behaviors of all the syntheses were explored based on the reactivity, which was tested against various cancer cell lines (HepG-2, MCF-7, and HCT-116). The complexes exhibited an interestingly antiproliferative potential against human cancer cell lines, and the cytotoxicities of the new complexes were arranged to follow the order: VOL > CrL > NiL > LaL > CoL > HL. The antioxidant behaviors of the complexes were studied using the DPPH assay, and VOL showed the maximum antioxidant activity, followed by LaL. The antibacterial activities of the HL ligand and its complexes were studied. Moreover, the binding nature of the complexes with calf thymus DNA (CT-DNA) was investigated based on the spectrophotometric absorption titration, viscosity, and gel electrophoresis methods. The binding ability of the complexes with CT-DNA was proposed to be just intercalation or replacement mode. The intrinsic binding constant K b was calculated and arranged based on the following order: VOL (5.2 Â 10 5 ) > CrL (3.6 Â 10 5 ) > NiL (3.3 Â 10 5 ) > LaL (3.0 Â 10 5 ) > CoL (1.12 Â 10 5 ) mol À1 dm À3 . Docking investigations were performed using the receptors of COVID-19's main protease viral protein (PDB ID: 6LU7) and Escherichia coli (gram [-ve] bacteria [PDB ID: 1fj4]).

Enhanced In Vivo Wound Healing Efficacy of a Novel Hydrogel Loaded with Copper (II) Schiff Base Quinoline Complex (CuSQ) Solid Lipid Nanoparticles

“…Furthermore, as there was increased expression of TGF-β and VEGF in our study, the vascularization was subsequently improved. These findings are in alignment with many studies that demonstrated the well-established copper complexes and dressing efficacy in healing acute wounds via promoting neovascularization, increased epithelialization, collagen deposition, and accelerated wound contraction [39,44,45]. Thus, in contrast to control and standard treated groups, CuSQ-treated rats had faster wound healing due to enhanced angiogenesis and collagen synthesis.…”

“…The electron ionization method was utilized to record mass spectra at 70 eV on an HP MS-5988 GS-MS. UV-visible spectra were recorded using a Shimadzu UV mini-1240 spectrophotometer. The molar conductivity of 10 −3 M solutions of the CuSQ complex in DMF was measured using a Jenway 4010 conductivity meter [45].…”

“…The method of Schiff base synthesis was previously discussed [45]. The analytical and spectral data of Salen ligand are: yield 96%; M. p. 127…”

Synthesis, Characterization, PXRD Studies, Theoretical Calculation, and Antitumor Potency Studies of a Novel N,O‐Multidentate Chelating Ligand and Its Zr(IV), V(IV), Ru(III), and Cd(II) Complexes

“…e ligand spectrum shows a band at 1604 cm −1 which corresponds to the (−C � N) stretching vibration [66]. On complexation, this band is shifted to a lower frequency (1582, 1595, 1553, and 1603 cm −1 ) for Zr(IV), V(IV), Ru(III), and Cd(II) complexes, respectively.…”

“…e average particle sizes of the ligand and Cd complexes were calculated using the Scherer equation [66,73], which were 37.48 (ligand) and 42.42 (Cd/ligand) nm.…”