Synthesis, structure elucidation and dft study of a new thiazole–pyridine anchored nnn donor and it's cobalt(II) complex: In-vitro antitumor activity against U937 cancer cells, dna binding property and molecular docking study

Aher, Abhishek; Brandão, Paula; Manna, Sunil K.; Bhattacharyya, Indranil; Pramanik, Chandana; Mandal, Biplab; Das, Satyabrata; Bera, Pulakesh

doi:10.1016/j.molstruc.2020.129015

Cited by 13 publications

(12 citation statements)

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“…The different quantum chemical parameters of ligand and its complexes (1)(2)(3)(4)(5)(6)(7)(8) No. S3.…”

Section: Molecular Parametersmentioning

confidence: 99%

“…[76,88] The appearances of 3-week bands in the EAS of Fe 3+ complex (2) at 820, 713, and 566 nm, which are attributed to the following transitions (υ 1 ) 6 A 1g (S)! 4 T 1g (G), (υ 2 ) 6 A 1g (S)! 4 T 2g (G), and (υ 3 ) 6 A 1g (S)!…”

Section: Ir Spectramentioning

confidence: 99%

“…4 T 1g (G), (υ 2 ) 6 A 1g (S)! 4 T 2g (G), and (υ 3 ) 6 A 1g (S)! 4 A 1g (G) 4 E 1g (G), correspondingly.…”

Section: Ir Spectramentioning

confidence: 99%

“…Accordingly, the hydrazonic chelators and their chelated compounds have been intensely utilized in coordination chemistry because of their chelating capabilities, physiological activities, and broad range of applications in several fields like analytical, clinical, biological, pharmacological, industrial chemistry, biomedical chemical, and wastewater remediation. [4][5][6][7] In this respect, various hydrazonic chelators and their chelated compounds have been stated to have important biological and pharmacological activities involving antimalarial, [8] enzyme inhibitors, [9][10][11][12] antimicrobial, antifungal, antibacterial, [13][14][15] antitrypanosome, [16] anticancer, [17,18] antidiabetic, [19,20] antitumor, [6,21,22] antiinflammatory, [10,23] antiviral, [10,24] and antioxidant. [25,26] Also, some acyl-hydrazone derivatives have been utilized in the Alzheimer's disease treatment, radical scavenging, and myeloperoxidase/acetylcholinesterase inhibition.…”

Section: Introductionmentioning

confidence: 99%

“…The thermal analysis (thermogravimetric [TG]) of Fe 3+ , Co 2+ , and Cu 2+ complexes(2)(3)(4)(5)(6)(7) …”

mentioning

confidence: 99%

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Structure investigation, density functional theory, and biostudy of synthesized dihydrazone incorporating isatin moiety and its homo‐bimetallic complexes

Shakdofa

Saleem

Shakdofa

2021

Applied Organom Chemis

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Seven homo-bimetallic complexes derived from 3-(-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methylene)hydrazono)indolin-2-one with Fe 3+ , Co 2+ , Cu 2+ , and UO 2 2+ have been prepared and structurally investigated using elemental and thermo-gravimetric analyses and spectral, magnetic, and molar conductivity measurements. This structural investigation leads us to conclude that the bis-hydrazone has behaved as neutral tetradentate chelator chelated to the Fe 3+ , Co 2+ , Cu 2+ , and UO 2 2+ ions via the carbonyl and azomethine groups adopting distorted octahedral structure for Fe 3+ , Co 2+ , and Cu 2+ complexes (2-5), whereas the Cu 2+ complexes (6-7) have square planar structures. The structural characterization of bis-hydrazone and its chelated compounds has been supported by density functional theory calculations. The optimized geometry, global reactivity descriptors, and lowest unoccupied molecular orbital (LUMO) and highest occupied molecular orbital (HOMO) of the molecules have been calculated in accordance with the density functional theory (DFT)-Beckee3eLeeeYangeParr (B3LYP) technique and 6e311G(d,p) basis set. The molecular electrostatic potential image was also drawn by the DFT-B3LYP technique and 6e311G(d,p) basis set to envision the charge distribution and chemical reactivity on the molecules. The bioeffect of bis-hydrazone and its chelated compounds was assessed against bacterial strains Bacillus subtilis, Escherichia coli, as well as fungal strains Canadian albicans and Aspergillus niger. The observed data imply encouraging bioeffect of some of these complexes in comparing with the free bis-hydrazone or amphotericin B (AmB) against all fungal C. albicans and A. niger.

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“…The different quantum chemical parameters of ligand and its complexes (1)(2)(3)(4)(5)(6)(7)(8) No. S3.…”

Section: Molecular Parametersmentioning

confidence: 99%

Section: Ir Spectramentioning

confidence: 99%

“…4 T 1g (G), (υ 2 ) 6 A 1g (S)! 4 T 2g (G), and (υ 3 ) 6 A 1g (S)! 4 A 1g (G) 4 E 1g (G), correspondingly.…”

Section: Ir Spectramentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

“…The thermal analysis (thermogravimetric [TG]) of Fe 3+ , Co 2+ , and Cu 2+ complexes(2)(3)(4)(5)(6)(7) …”

mentioning

confidence: 99%

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Structure investigation, density functional theory, and biostudy of synthesized dihydrazone incorporating isatin moiety and its homo‐bimetallic complexes

Shakdofa

Saleem

Shakdofa

2021

Applied Organom Chemis

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Synthesis and Characterization of Metal Complexes [M(L)(Im)]NO₃, In Vitro DNA/BSA Binding Behavior and Cytotoxicity on HepG2 Cancer Cells

Alroba,

Aazam,

Zaki

2024

ChemistrySelect

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A new ligand (HL) was prepared from heterocyclic 8‐Hydroxy‐2‐quinolinecarboxaldehyde and 2‐Aminobenzophenone in one pot synthesis. The metal complexes of the types [Zn(L)(Im)]NO3 (1), [Cu(L)(Im)]NO3 (2) and [Co(L)(Im)]NO3 (3) were prepared by adopting HL and Imidazole under refluxing conditions. The HL and complexes 1–3, were characterized by CHN elemental analysis and spectroscopic methods 1H NMR, 13C NMR, FT‐IR, ToF Mass. The spectroscopic studies suggest square pyramidal geometry in all complexes. The interaction of ligand and complexes with DNA and BSA was conducted by UV‐vis absorption and fluorescence spectroscopy. The Kb value of 2.17×104 M−1 for complex 2 is the highest depicting its greater binding propensity with DNA. Similarly, in BSA binding studies, complex 2 shows greater binding potential in the hydrophobic core probably near the Trp 212 in the subdomain IIA. Furthermore, the complex 2 shows excellent cytotoxicity on HepG2 cancer cells with IC50=74.05±0.69 μM. In the cell cycle analysis of HepG2 cells, it has been observed that complex 2 arrests the cell proliferation in the G1/S phase. Annexin V‐based flow cytometry analysis further indicated 6‐fold apoptotic cell death by complex 2 in the experiment along with non‐specific necrosis cell death.

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Ligation and Antimicrobial Studies on Synthetic Metal Complexes of Novel Asymmetric Polydentate Hydrazonic Ligand Incorporating Oxime Moiety Derived Arom 4,6-Diacetylresorcinol

El-Tabl,

Wahed,

Shakdofa

et al. 2024

Pharm Chem J

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Synthesis, structure elucidation and dft study of a new thiazole–pyridine anchored nnn donor and it's cobalt(II) complex: In-vitro antitumor activity against U937 cancer cells, dna binding property and molecular docking study

Cited by 13 publications

References 50 publications

Structure investigation, density functional theory, and biostudy of synthesized dihydrazone incorporating isatin moiety and its homo‐bimetallic complexes

Structure investigation, density functional theory, and biostudy of synthesized dihydrazone incorporating isatin moiety and its homo‐bimetallic complexes

Synthesis and Characterization of Metal Complexes [M(L)(Im)]NO₃, In Vitro DNA/BSA Binding Behavior and Cytotoxicity on HepG2 Cancer Cells

Ligation and Antimicrobial Studies on Synthetic Metal Complexes of Novel Asymmetric Polydentate Hydrazonic Ligand Incorporating Oxime Moiety Derived Arom 4,6-Diacetylresorcinol

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Synthesis, structure elucidation and dft study of a new thiazole–pyridine anchored nnn donor and it's cobalt(II) complex: In-vitro antitumor activity against U937 cancer cells, dna binding property and molecular docking study

Cited by 13 publications

References 50 publications

Structure investigation, density functional theory, and biostudy of synthesized dihydrazone incorporating isatin moiety and its homo‐bimetallic complexes

Structure investigation, density functional theory, and biostudy of synthesized dihydrazone incorporating isatin moiety and its homo‐bimetallic complexes

Synthesis and Characterization of Metal Complexes [M(L)(Im)]NO3, In Vitro DNA/BSA Binding Behavior and Cytotoxicity on HepG2 Cancer Cells

Ligation and Antimicrobial Studies on Synthetic Metal Complexes of Novel Asymmetric Polydentate Hydrazonic Ligand Incorporating Oxime Moiety Derived Arom 4,6-Diacetylresorcinol

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Synthesis and Characterization of Metal Complexes [M(L)(Im)]NO₃, In Vitro DNA/BSA Binding Behavior and Cytotoxicity on HepG2 Cancer Cells