Fe(III), Co(II), Ni(II), Cu(II) and Zn(II) complexes of fluorophore-anchored asymmetric thiocarbohydrazone: Synthesis, characterization and biological studies

Kadam, Shivaji Sambhaji; Gotarne, Rhushikesh P.; Shinde, Meenakshi N.; Mane, Vishwanath S.; Khan, Ayesha; Kumbhar, Avinash S.

doi:10.1016/j.ica.2022.120887

Cited by 6 publications

(6 citation statements)

References 43 publications

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“…One band appeared at 592 nm, and the other band appeared as a hump at 890 nm. These bands could be assigned to the 3 A 2g (F) / 3 T 1g (F) and 3 A 2g (P) / 3 T 1g (P) transitions in the octahedral Ni(II) complex. 40,41 Furthermore, the magnetic moment of the Ni(PyT) complex was measured, and its value was 2.9 B.M.…”

Section: Characterization Of the Ni (Pyt) Nanocomplexmentioning

confidence: 97%

“…1,2 The antiviral, antidiabetic, hepatoprotective, antibacterial, and antiproliferative properties of thiocarbohydrazone ligands have been studied. 3 Additionally, because of their exible coordination ability and hybrid so-hard donor nature, thiocarbohydrazone ligands easily form metal complexes. Both organic molecules and their metal complexes display a wide range of pharmacological functions, including anticancer, antibacterial, and fungistatic actions.…”

Section: Introductionmentioning

confidence: 99%

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Synthesis, structural, spectroscopic and electric/dielectric studies of a nanocrystalline Ni(ii) complex based on [(1,3-diphenyl-1H-pyrazol-4-yl)methylene]thiocarbonohydrazide

Fouad,

Ali,

Assiri

et al. 2024

RSC Adv.

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Section: Characterization Of the Ni (Pyt) Nanocomplexmentioning

confidence: 97%

Section: Introductionmentioning

confidence: 99%

Synthesis, structural, spectroscopic and electric/dielectric studies of a nanocrystalline Ni(ii) complex based on [(1,3-diphenyl-1H-pyrazol-4-yl)methylene]thiocarbonohydrazide

Fouad,

Ali,

Assiri

et al. 2024

RSC Adv.

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“…Thiocarbohydrazones are an important, though less studied, class of molecules possessing biochemical, pharmaceutical, and industrial applications . Of utmost importance is their metal-chelating ability …”

Section: Introductionmentioning

confidence: 99%

“…18 Of utmost importance is their metalchelating ability. 19 3,4-Dihydropyrimidines are important intermediates in the synthesis of bioactive molecules like natural products, 20 functional materials like polymers, 21 and adhesives. 22 In particular, 4,6-diaryl-3,4-dihydropyrimidine-2(1H)-thione derivatives were recently proven to possess potent cytotoxic activity.…”

Section: ■ Introductionmentioning

confidence: 99%

Thiocarbohydrazone and Chalcone-Derived 3,4-Dihydropyrimidinethione as Lipid Peroxidation and Soybean Lipoxygenase Inhibitors

et al. 2023

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The potential of the 4,6-diphenyl-3,4-dihydropyrimidine-2(1H)-thione (abbreviated as KKII5) and (E)-N′-benzylidenehydrazinecarbothiohydrazide (abbreviated as DKI5) compounds as possible drug leads is investigated. KKII5 and DKI5 are synthesized in high yield of up to 97%. Their structure, binding in the active site of the LOX-1 enzyme, and their toxicity are studied via joint experimental and computational methodologies. Specifically, the structure assignment and conformational analysis were achieved by applying homonuclear and heteronuclear 2D nuclear magnetic resonance (NMR) spectroscopy (2D-COSY, 2D-NOESY, 2D-HSQC, and 2D-HMBC) and density functional theory (DFT). The obtained DFT lowest energy conformers were in agreement with the NOE correlations observed in the 2D-NOESY spectra. Additionally, docking and molecular dynamics simulations were performed to discover their ability to bind and remain stabile in the active site of the LOX-1 enzyme. These in silico experiments and DFT calculations indicated favorable binding for the enzyme under study. The strongest binding energy, −9.60 kcal/mol, was observed for dihydropyrimidinethione KKII5 in the active site of LOX-1. ADMET calculations showed that the two molecules lack major toxicities and could serve as possible drug leads. The redox potential of the active center of LOX-1 with the binding molecules was calculated via DFT methodology. The results showed a significantly smaller energy attachment of 2.8 eV with KKII5 binding in comparison to DKI5. Thus, KKII5 enhanced the ability of the active center to receive electrons compared to DKI5. This is related to the stronger binding interaction of KKII5 relative to that of DK15 to LOX-1. The two very potent LOX-1 inhibitors exerted IC50 19 μΜ (KKII5) and 22.5 μΜ (DKI5). Furthermore, they both strongly inhibit lipid peroxidation, namely, 98% for KKII5 and 94% for DKI5.

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“…[12,13] Mono-or bis-substituted thiocarbohydrazone derivatives can be obtained from the reaction of the appropriate aldehyde or ketone with thiocarbohydrazide, depending on the molar ratio (1:1 or 1:2) of the reactants. [14,15] These compounds form interesting ligand systems because they have a variety of potential donors. They usually bond the metal through the sulfur and imine nitrogen atom.…”

Section: Introductionmentioning

confidence: 99%

New mixed‐ligand iron(III) complexes containing thiocarbohydrazones: Preparation, characterization, and chemical reactivity analysis through theoretical calculations

Kaya

Erçağ

Katin

et al. 2022

Applied Organom Chemis

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Five new mixed ligand Fe(III) complexes, namely, [FeL1(acac)] (L1Fe), [FeL2(acac)] (L2Fe), [FeL3(acac)] (L3Fe), [FeL4(acac)] (L4Fe), and [FeL5(acac)] (L5Fe), were synthesized from the reaction of iron(III) acetylacetonate with [ONS] donor dibasic tridentate symmetrical bisthiocarbohydrazone ligands. Synthesized mixed ligand Fe(III) complexes were characterized with infrared spectra, UV‐Vis spectra, mass spectra, elemental analysis, magnetic susceptibility measurements, and thermogravimetric analysis. The molar conductance measurement in DMF solution confirmed that the complexes are nonelectrolytic. TGA analysis results showed that the thermal stability of the ligands and complexes was high. Antioxidant capacity and free radical scavenging activity of the mixed ligand Fe(III) complexes were investigated using CUPRAC and the DPPH radical scavenging method. Mixed ligand Fe(III) complexes showed higher antioxidant activity than ligands and reference compound. Popular conceptual density functional parameters like hardness, electrophilicity, dipole moment, and chemical potential for new ligands and their Fe(III) complexes were calculated and discussed. Chemical reactivity and stabilities of the studied chemical systems were analyzed with the help of well‐known electronic structure principles like maximum hardness principle (MHP), hard and soft acid–base (HSAB) principle, minimum polarizability principle, and minimum electrophilicity principle. L1Fe, which has the highest chemical hardness value, is the most stable complex according to MHP.

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Fe(III), Co(II), Ni(II), Cu(II) and Zn(II) complexes of fluorophore-anchored asymmetric thiocarbohydrazone: Synthesis, characterization and biological studies

Cited by 6 publications

References 43 publications

Synthesis, structural, spectroscopic and electric/dielectric studies of a nanocrystalline Ni(ii) complex based on [(1,3-diphenyl-1H-pyrazol-4-yl)methylene]thiocarbonohydrazide

Synthesis, structural, spectroscopic and electric/dielectric studies of a nanocrystalline Ni(ii) complex based on [(1,3-diphenyl-1H-pyrazol-4-yl)methylene]thiocarbonohydrazide

Thiocarbohydrazone and Chalcone-Derived 3,4-Dihydropyrimidinethione as Lipid Peroxidation and Soybean Lipoxygenase Inhibitors

New mixed‐ligand iron(III) complexes containing thiocarbohydrazones: Preparation, characterization, and chemical reactivity analysis through theoretical calculations

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