Synthesis, characterization, crystal structure and density functional theory (DFT) calculations of dioxomolybdenum (VI) complexes of an ONS donor ligand derived from benzoylacetone and S-benzyl dithiocarbazate

Chakraborty, Manashi; Roychowdhury, Sathi; Pramanik, Nikhil Ranjan; Raychaudhuri, Tapas Kumar; Mondal, Tapan Kumar; Kundu, Subhankar; Drew, Michael G. B.; Ghosh, Saktiprosad; Mandal, Sandip

doi:10.1016/j.poly.2012.12.006

Cited by 13 publications

(2 citation statements)

References 48 publications

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“…[ 21,53 ] Also, the band due to thione ν(CS) disappeared followed by appearance of new bands in 717–767 cm −1 region due to formation of thiolate group ν(C–S). [ 20,21,29,54 ] This concludes that the ligand is coordinated to the metal center through azomethine nitrogen, deprotonated phenolate oxygen, and thiolate sulfur in a bi‐negative tridentate manner. [ 20,29,43 ] The thione‐thiole forms of the ligand are indicated in Scheme 1.…”

Section: Resultsmentioning

confidence: 99%

Synthesis, characterization, DNA binding/cleavage, cytotoxic, apoptotic, and antibacterial activities of V(IV), Mo(VI), and Ru(II) complexes containing a bioactive ONS‐donor chelating agent

El‐Afify

Elsayed

Shalaby

et al. 2020

Applied Organom Chemis

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New V(IV), Mo(VI), and Ru(II) complexes containing the ligand 2,4‐dihydroxyacetophenone‐S‐methyl dithiocarbazate (H2dhasm); [VO(dhasm)(bpy)] (1) (bpy = 2,2′‐bipyridine), [VO(dhasm)(phen)] (2) (phen = 1,10‐phenanthroline), [MoO2(dhasm)(imz)] (3) (imz = imidazole), [MoO2(dhasm)(DMSO)] (4) (DMSO = dimethylsulfoxide), and [Ru(CO)(PPh3)2(dhasm)] (5) have been synthesized. The ligand and its complexes were structurally characterized by elemental analyses, IR, 1H NMR, EPR, ultraviolet (UV)–visible spectroscopies, magnetic susceptibility, and cyclic voltammetry measurements. Single crystal X‐ray crystallography was used to establish the structure detail of (3) and (4) complexes confirming that the ligand coordinate to the metal ion in a bi‐negative tridentate fashion (dhasm2−, ONS‐donor) in a distorted octahedral geometry. The interaction with calf thymus DNA (CT DNA) of all compounds was studied by UV–visible and fluorescence spectroscopies. Both studies confirmed that these compounds bind to CT DNA through intercalation mode. The DNA cleavage activity of the complexes was also studied on plasmid DNA using gel agarose electrophoresis, and the results revealed that only complexes (2) and (5) have superior cleavage activity in the presence of H2O2. The cytotoxic activity (in vitro) of the complexes on three human cancer cell lines; human liver hepatocellular carcinoma (HepG2), breast adenocarcinoma (MCF7), and epitheliod carcinoma (Hela); and a normal human lung fibroblast (WI‐38) was studied using MTT assay. The complexes exhibited a strong cytotoxicity effect compared with their parent ligand. The ruthenium(II) complex (5) showed the most potent growth inhibition of cancer cells. Also, the mechanism of the apoptotic death in HepG2 cells was studied by observing an increased gene expression of caspase‐3, BAX, P53 and decreased Bcl2 gene expression. The complexes were also screened for their antibacterial activity against gram‐positive and gram‐negative bacteria and showed significant activity against both microorganisms.

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Section: Resultsmentioning

confidence: 99%

Synthesis, characterization, DNA binding/cleavage, cytotoxic, apoptotic, and antibacterial activities of V(IV), Mo(VI), and Ru(II) complexes containing a bioactive ONS‐donor chelating agent

El‐Afify

Elsayed

Shalaby

et al. 2020

Applied Organom Chemis

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“…The interest on the mentioned compounds increases during the last two decades, particularly for complexes containing functional groups with lone electron pairs such as studied Schiff base molybdenum complexes. [12][13][14] Molybdenum complexes with general formula [MoO 2 (H 2 L)] [15][16][17] are used for their excellent properties as a stimulator in the enzymatic reactions. 18,19 According to two studies (Rayati et al and Jain et al), 20,21 molybdenum complexes with O and N donor ligands are seen as very strong and potential catalysts for both homogeneous and heterogeneous reactions.…”

Section: Introductionmentioning

confidence: 99%

DFT/TDDFT Investigation on the Electronic Structure and Spectroscopic Properties of Cis-Dioxomolybdenum (VI) Complexes

Seghir

Nebbache

Meftah

et al. 2019

ACSi

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In this contribution, two mononuclear molybdenum complexes with H 2 L tridentate (ONO) Schiff base ligand are characterized using computational techniques. Density functional theory (DFT) and its time extension (TD-DFT) calculations are performed to study the electronic structure in ground and excited state and to interpret the electronic absorption spectra in gas and aqueous phases. TDDFT calculations affirm that the LMCT charge transfer dominates for both complexes and a hypochromic effect on absorption properties is observed according to solvent substitution. All theoretical results compare nicely with available experimental data.

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Acid–base effects, light emission, DNA-binding and photocleavage studies of oligo-homonuclear ruthenium(II) complexes and their computational study

Kannan¹,

Kumar²,

Stalin³

et al. 2015

Inorganica Chimica Acta

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Synthesis, characterization, crystal structure and density functional theory (DFT) calculations of dioxomolybdenum (VI) complexes of an ONS donor ligand derived from benzoylacetone and S-benzyl dithiocarbazate

Cited by 13 publications

References 48 publications

Synthesis, characterization, DNA binding/cleavage, cytotoxic, apoptotic, and antibacterial activities of V(IV), Mo(VI), and Ru(II) complexes containing a bioactive ONS‐donor chelating agent

Synthesis, characterization, DNA binding/cleavage, cytotoxic, apoptotic, and antibacterial activities of V(IV), Mo(VI), and Ru(II) complexes containing a bioactive ONS‐donor chelating agent

DFT/TDDFT Investigation on the Electronic Structure and Spectroscopic Properties of Cis-Dioxomolybdenum (VI) Complexes

Acid–base effects, light emission, DNA-binding and photocleavage studies of oligo-homonuclear ruthenium(II) complexes and their computational study

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