Synthesis, characterization, antioxidant, antileishmanial, anticancer, DNA and theoretical SARS-CoV-2 interaction studies of copper(II) carboxylate complexes

Viola,; Muhammad, Niaz; Khan, Ishaq N.; Ali, Zafar; Ibrahim, Mohammad; Shujah, Shaukat; Ali, Saqib; Ikram, Muhammad; Rehman, Sadia; Khan, Gul N.; Wadood, Abdul; Noor, Awal; Schulzke, Carola

doi:10.1016/j.molstruc.2021.132308

Cited by 14 publications

(12 citation statements)

References 61 publications

(88 reference statements)

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“…In addition, we have also made a comparison of copper complexes reported in the literature with numerous spike proteins using different software of molecular docking techniques (Table S5). The results of the inhibitory activity are similar to previous studies on the copper complexes. − …”

Section: Resultssupporting

confidence: 89%

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Single Crystal Investigations, Hirshfeld Surface Analysis, DFT Studies, Molecular Docking, Physico-Chemical Characterization, and Biological Activity of a Novel Non-Centrosymmetric Compound with a Copper Transition Metal Precursor

et al. 2023

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A novel organic−inorganic hybrid non-centrosymmetric superconductor material [2-ethylpiperazine tetrachlorocuprate(II)] has been synthesized and investigated by means of Fourier transform infrared spectroscopy, single-crystal Xray crystallography, thermal analyses, and density functional theory (DFT) studies. The single-crystal X-ray analysis indicates that the studied compound crystallizes in the P2 1 2 1 2 1 orthorhombic space group. Hirshfeld surface analyses have been used to investigate non-covalent interactions. Organic cations [C 6 H 16 N 2 ] 2+ and inorganic moieties [CuCl 4 ] 2− alternatively connect N−H•••Cl and C−H•••Cl hydrogen bonds. In addition, the energies of the frontier orbitals, highest occupied molecular orbital, lowest unoccupied molecular orbital, the reduced density gradient analyses and quantum theory of atoms in molecules analyses, and the natural bonding orbital are also studied. Furthermore, the optical absorption and photoluminescence properties were also explored. However, time-dependent/DFT computations were utilized to examine the photoluminescence and UV−vis absorption characteristics. Two different methods, 2, 2-diphenyl-1-picryhydrazyl radical and 2,2-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid radical scavenging, were used to evaluate the antioxidant activity of the studied material. Furthermore, the title material was docked to the SARS-CoV-2 variant (B.1.1.529) in silico to study the noncovalent interaction of the cuprate(II) complex with active amino acids in the spike protein.

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Section: Resultssupporting

confidence: 89%

“…The results of the inhibitory activity are similar to previous studies on the copper complexes. 69 − 73 …”

Section: Resultsmentioning

confidence: 99%

Single Crystal Investigations, Hirshfeld Surface Analysis, DFT Studies, Molecular Docking, Physico-Chemical Characterization, and Biological Activity of a Novel Non-Centrosymmetric Compound with a Copper Transition Metal Precursor

et al. 2023

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“…Additionally, the review of the existing literature indicate that the synthesized compounds have significant oxidant inhibition ability in comparison of previously published compounds. 76,77…”

Section: Antioxidant Activitymentioning

confidence: 99%

Exploring the antimicrobial, antioxidant and cytotoxic activities of organyltellurium (IV) complexes incorporating 2‐hydroxy‐1‐naphthaldehyde schiff base ligand: Synthesis, spectroscopic investigations and theoretical studies

Dalal,

Devi,

Antil

et al. 2023

Applied Organom Chemis

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In this study, Schiff base ligand 1,1′‐((propane‐1,3‐diylbis [azaneylylidene]) bis (methaneylylidene))bis (naphthalen‐2‐ol) based Organyltellurium (IV) complexes were synthesized with formulae C32H27ClN2O3Te (5a)\C31H25ClN2O3Te (5b)\C32H27ClN2O3Te (5c)\ C39H34N2O4Te (5d)\ C37H30N2O4Te (5e)\ C39H34N2O4Te (5f) for acquiring a potential therapeutic agent. The synthesized compounds were characterized by ultraviolet–visible (UV–Vis), FT‐IR, 1H‐NMR, 13C‐NMR, mass spectrometry, molar conductance, elemental analysis, powder X‐ray diffraction and EDAX, which states that the tetradentate Schiff base ligand (HNDP) coordinated via oxygen and nitrogen atom with tellurium giving hexa‐coordinated tellurium (IV) complexes. The thermal features of the ligand and complexes were studied using thermal (TGA and DTG) technique. The biochemical behavior of the Schiff base and its complexes was assessed by examining their reactivity against various microbial strains, DPPH free radicals as well as normal and cancer cells. The complex 5c exhibited the highest inhibition activity against bacterial strains while complex 5f showed the strongest inhibition activity against fungal strains. Complexes 5e and 5f displayed the most effective suppression of DPPH free radicals. The results of in vitro cytotoxicity study revealed that complex 5a demonstrated moderate cytotoxic effect on the L929 cell lines. Complex 5c displayed a significant cytotoxic effect on the PC3 cell line. Moreover, complex 5a, 5c and 5e exhibited the best cytotoxic activity against the Saos‐2 cell line. Additionally, the structural forms of synthesized compounds were elucidated by DFT study. Furthermore, pharmacokinetic ADMET properties were estimated for their drug similarity behavior. The results advocate that complexes can be utilized as biological drugs.

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“…Indeed, the SARS-CoV-2, N protein C-terminal domain is capable of binding to single-stranded RNA, single-stranded DNA as well as double-stranded DNA. Therefore, N protein C-terminal domain (N-CTD) may be a target with two active binding sites (monomer and dimer) that take part in the specific RNA binding and stability ( Viola et al, 2022 ; R. Zhou et al, 2020 ). However, RNA synthesis steps are also affected by Cu via RNA polymerase inhibition ( Novello and Stirpe, 1969 ).…”

Section: Copper-zinc Interactions and Sars-cov-2mentioning

confidence: 99%

Can iron, zinc, copper and selenium status be a prognostic determinant in COVID-19 patients?

Engin

2022

Environmental Toxicology and Pharmacology

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Synthesis, characterization, antioxidant, antileishmanial, anticancer, DNA and theoretical SARS-CoV-2 interaction studies of copper(II) carboxylate complexes

Cited by 14 publications

References 61 publications

Single Crystal Investigations, Hirshfeld Surface Analysis, DFT Studies, Molecular Docking, Physico-Chemical Characterization, and Biological Activity of a Novel Non-Centrosymmetric Compound with a Copper Transition Metal Precursor

Single Crystal Investigations, Hirshfeld Surface Analysis, DFT Studies, Molecular Docking, Physico-Chemical Characterization, and Biological Activity of a Novel Non-Centrosymmetric Compound with a Copper Transition Metal Precursor

Exploring the antimicrobial, antioxidant and cytotoxic activities of organyltellurium (IV) complexes incorporating 2‐hydroxy‐1‐naphthaldehyde schiff base ligand: Synthesis, spectroscopic investigations and theoretical studies

Can iron, zinc, copper and selenium status be a prognostic determinant in COVID-19 patients?

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