Preparation, Structural characterization and DNA binding/cleavage affinity of new bioactive nano‐sized metal (II/IV) complexes with oxazon‐Schiff's base ligand

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New nano‐sized Ni(II), Pd(II), and Pt(II) Schiff base chelates of 2‐(((Z)‐6‐chloro‐3‐((E)‐([2‐hydroxyphenyl]imino)methyl)‐4H‐chromen‐4‐ylidene)amino)phenol were designed and manufactured. The structural characterization of these isolated compounds was accomplished through spectral measurements, thermal and elemental analyses, and magnetic moment and conductivity determinations. The nano‐sized metal(II) complexes molar conductance indicated that they exhibited non‐electrolytic behavior. The UV–Vis spectral data and magnetic moment provided evidence for producing octahedral geometries in the nano‐sized complexes of Ni(II), Pd(II), and Pt(II). Metal chelates' thermal characteristics and decomposition kinetics were examined through Coats‐Redfern technique. The kinetic aspects, including pre‐exponential factor (A), the entropy of activation (ΔS), and activation energy (E) were enumerated. The X‐ray diffraction (XRD) calculations results of the trivalent metal complexes showed that sharp and intense diffraction peaks signify their crystalline properties with nanoscale particle size, and another proof was obtained from the images of SEM, TEM, EDX, and AFM also homogeneous distribution over the complex surface was confirmed. Molecular modeling techniques were adopted to optimize the metal complexes geometry. The viscosity and UV–Vis absorption determinations were utilized to assess the calf thymus DNA (CT‐DNA) interaction with the nano‐sized metal(II) chelates. The acquired data revealed that the complexes exhibit a non‐intercalative or incomplete binding pattern when interacting with DNA. The calculated DNA‐complexes binding constants are 3.93 ± 0.02 × 10,4 1.67 ± 0.3 × 105 and 2.88 ± 0.03 × 105 M−1, for nano‐sized Ni(II), Pd(II) and Pt(II) Schiff base chelates, successively. Both Gram‐negative (Escherichia coli and Pseudomonas aeruginosa) and Gram‐positive (Bacillus subtilis and Streptococcus pneumoniae) micro‐organisms were tested against H2L Schiff base ligand and its nano‐sized metal(II) complexes. Candida albicans and Aspergillus fumigatus were tested for antifungal activity, revealing that most complexes had activity lower than H2L ligand, while the complex of Ni(II) exhibited no discernible antifungal activities. Furthermore, the manufactured complexes underwent testing for their in‐vitro anticancer and antibacterial effectiveness. Furthermore, the complexes antioxidant activity was appraised through DPPH and ABTS inhibition tests, revealing distinct scavenging abilities on DPPH radicals. The complexes were ordered according to their scavenging capacity as follows: Ni(II) complex > Pd(II) complex > Pt(II) complex. Finally, the study of cell cycle arrest by the Ni(II), Pd(II), and Pt(II) complexes on HEPG2 has also been performed through flow cell cytometry.

Section: Resultsmentioning

confidence: 99%

DNA interaction, biological, and structural identification studies of bivalent nano‐sized Nickel, Palladium, and Platinum chelates of 2‐(((Z)‐6‐chloro‐3‐((E)‐([2‐hydroxyphenyl]imino)methyl)‐4H‐chromen‐4‐ylidene)amino)phenol Schiff base ligand

Alaghaz,

Alamier,

Almashnowi

2024

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“…The OH free radicals produced during electrophoresis oxidizes the deoxyribose moiety, which in turn causes hydrolytic cleavage in the backbone of sugar phosphate. [ 49 ] From the exhibited images, it is observed that all the complexes were effective in cleaving the DNA when compared with control DNA.…”

Section: Resultsmentioning

confidence: 99%

Crystal structure, chemical nuclease activity, and VHPO mimicking potential of oxovanadium(IV) complexes—A combined experimental and computational study

Bennie¹,

Livingston²,

Joel³

et al. 2020

A series of oxovanadium(IV) complexes [VO(salala)(phen)] (1), [VO(salala)(bpy)] (2), and [VO(napala)(phen)] (3) where salala and napala are N‐salicylidene‐β‐alanate and N‐napthalidene‐β‐alanate, respectively, and phen = 1,10‐phenanthroline and bpy = 2,2′‐bipyridine have been synthesized. The single‐crystal X‐ray crystallographic data of complex 2 reveal that its crystal structure exists in the monoclinic space group P21/a. All the complexes adopted distorted octahedral geometry and are confirmed through various spectral techniques including FTIR, UV–Vis, ESI mass, EPR, molar conductance, and magnetic measurements. To gain insights into the electronic structure of these synthesized complexes, density functional theory calculations have been carried out although UV absorption spectra of these complexes are simulated from time‐dependent density functional theory calculations. The cyclic voltammograms reveal the irreversible and the one‐electron transfer process of the complexes. The chemical nuclease activity of the complexes has also been done on pUC19 DNA. The results show that complex 2 acts as an excellent enzyme mimic of vanadium‐dependent bromoperoxidase involving in the effective bromination of phenol red at room temperature in acetonitrile medium. So investigation on the vanadium complex catalyzed conversion of organic substrates to corresponding brominated products has been a field of active research and found that the complex is certainly a VHPO mimic.

“…Geometry optimizations were accomplished utilizing DMol3 43 with the basis sets (B3LYP\6–31G* and 6–311G*) 44 . Atomic charges determined through Mulliken population analysis were acquired as part of the investigated parameters, which included the dipole moment and the energy of HOMO and LUMO levels 45–49 . To classify them as minima or transition states and to obtain energy values, the IR spectra were calculated for all stationary points using DFT with B3LYP and the 6–311G** basis set.…”

Section: Methodsmentioning

confidence: 99%

“…44 Atomic charges determined through Mulliken population analysis were acquired as part of the investigated parameters, which included the dipole moment and the energy of HOMO and LUMO levels. [45][46][47][48][49] To classify them as minima or transition states and to obtain energy values, the IR spectra were calculated for all stationary points using DFT with B3LYP and the 6-311G** basis set. The molecular electrostatic potential surface was drawn as stated in the Materials Studio package.…”

Section: Computational Detailmentioning

confidence: 99%

New Schiff's base derivative and their nano‐sized Cr (III), Fe (III), Ru (III), and Ir (III) complexes: Preparation, DFT, characterization, bio‐catalytic, DNA interactions, cytotoxicity, and docking studies

Almashnowi,

Alamier,

Alaghaz

et al. 2024

Self Cite

Nano‐sized trivalent metal complexes of Cr (III), Fe (III), Ru (III), and Ir (III) were synthesized and characterized of the form [M (FMAVIEP)Cl2] where FMAVIEP = ligand (C14H11N2O2) and M = Cr (III), Fe (III), Ru (III), and Ir (III). Several spectral techniques studies were used to assess our trivalent metal complexes. The trivalent metal complexes' XRD results revealed sharp and intense diffraction peaks, signifying their crystalline properties at nanoscale particle size. Further evidence was obtained from images captured through techniques such as SEM, TEM, energy‐dispersive X‐ray, and AFM. These images confirmed the homogeneous distribution of the trivalent metal complexes over the surface of the complex. DFT studies were used to study the nano‐sized metal (III) complexes via the DFT\B3LYP computational approach, employing a 6–311G* correlation consistent basis set. The energy gap of synthesized complexes was inspected. The obtained data exhibited a strong correlation with the experimental ones, implying the bio‐efficiency of the Ru (III) complex. The absorption measurements for the nano‐sized complexes' interaction with CT‐DNA signify that nano‐sized metal (III) complexes bind through an intercalation mechanism. This conclusion is supported by the observed intrinsic binding constant (Kb) 3.33 × 105–5.84 × 105 M−1.