Synthesis, characterization, X-ray structural analysis, DFT and BSA binding study of a Zn(II) complex, [Zn(II)Cl<sub>2</sub>(nia)<sub>2</sub>].2nia

Saini, Anju; Sharma, Raj Pal; Kaur, Pawanpreet; Bansal, Poonam; Krishan, Bal; Kaur, Paramjeet; Ferretti, Valeria; Kandwal, Pankaj

doi:10.1080/00958972.2021.1973668

Cited by 5 publications

(3 citation statements)

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“…54 When the synchronized fluorescence results were 2D and 3D fluorescence spectroscopy and provides knowledge about microenvironment and conformational changes for BSA in absence and presence of complexes. [55][56][57] The 3D and 2D spectral changes for BSA and BSA in presence of the complexes are shown in Figure 7. It was observed that the fluorescence intensity of the peaks changed.…”

Section: Bsa Binding Resultsmentioning

confidence: 99%

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New copper (II) complexes bearing tryptophan‐based Schiff bases and 2,2′‐bipyridine: Crystal structures, DNA/BSA interactions and antiproliferative activities

Özbağcı,

Gültekin,

Aydın

et al. 2024

Applied Organom Chemis

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Abstract[Cu(5‐ClSal‐Trp)(bpy)]·CH3OH (1) and [Cu(3,5‐ClSal‐Trp)(bpy)]·H2O (2) (5‐ClSal‐Trp: Schiff base derived from 5‐chlorosalicylaldehyde and tryptophan, 3,5‐ClSal‐Trp: Schiff base derived from 3,5‐dichlorosalicylaldehyde and tryptophan, bpy: 2,2′‐bipyridine) have been synthesized and analyzed by CHN analysis, FTIR, electronic absorption spectroscopy, ESI‐MS and XRD techniques. Interaction of the complexes with biomolecules {calf thymus DNA (CT‐DNA) and bovine serum albumin (BSA)} has been researched by fluorescence and electronic absorption spectroscopy. The results show that the complexes can bind via a moderate intercalation binding mode. According to the results obtained with both methods, the logKb and logKSV values of the complexes were found to be very close to each other. BSA quenching mechanism was found to be static. The results showed that the interaction between the complexes and BSA is driven by the hydrogen bond and van der Waals interaction. Additionally, the r values of the complexes (the complex 1 = 0.59 nm and the complex 2 = 0.53 nm) calculated from FRET theory suggested that the distance between the complexes (acceptor) and BSA (donor) is quite close. The complexes exhibited free radical scavenging activity compared to the standard antioxidant β‐carotene and catechin. Antiproliferative efficiency of the complexes on both breast cancer cells (MCF‐7 and MDA‐MB‐231) were also researched using the Sulforhodamine B (SRB) viability assay. It was found that the complex 1 (IC50 = 10.99 μM) exhibited higher cytotoxicity than cisplatin (IC50 = 15.6 μM) against MDA‐MB‐231 cell line. Additionally, intracellular reactive oxygen species (ROS) formation was determined by dihydroethidium (DHE) fluorescent staining. N‐acetylcysteine (NAC) was used as an efficient reactive oxygen species (ROS) scavenger. It was observed that newly synthesized Cu (II) complexes exhibited anti‐growth potential in human breast cancer cells. Additionally, it was determined that the complexes induced reactive oxygen species (ROS) formation in cells in a dose‐dependent manner.

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Section: Bsa Binding Resultsmentioning

confidence: 99%

“…2D and 3D fluorescence spectroscopy and provides knowledge about microenvironment and conformational changes for BSA in absence and presence of complexes 55–57 . The 3D and 2D spectral changes for BSA and BSA in presence of the complexes are shown in Figure 7.…”

Section: Resultsmentioning

confidence: 99%

New copper (II) complexes bearing tryptophan‐based Schiff bases and 2,2′‐bipyridine: Crystal structures, DNA/BSA interactions and antiproliferative activities

Özbağcı,

Gültekin,

Aydın

et al. 2024

Applied Organom Chemis

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“…Bond lengths of Zn-N in the chelate ring range from 1.966 to 2.005Å, which is in agreement with other studies. [46][47][48] It is worth to mention that Zn (CEIH) 2 molecule is bonded to its analog, in the adjacent unit cell, via reciprocal intermolecular hydrogen bonding (N8 … N3) and (N3 … N8) with 3.002 Å length.…”

Section: The N-(4-chlorophenyl) Carbonohydrazonoyl Dicyanide (Nccd)mentioning

confidence: 99%

Zinc(II)‐facilitated nucleophilic addition on N‐(4‐chlorophenyl) carbon hydrazonoyl dicyanide and hybrid complex formation: X‐ray, spectral characteristics, DFT, molecular docking, and biological studies

Elbadawy

El‐Dissouky

Elkashef

et al. 2022

Applied Organom Chemis

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The isolated crystalline, N-(4-chlorophenyl) carbonohydrazonoyl dicyanide, NCCD, showed a unique behavior in the presence of zinc ions, ethanol, and H 2 O. The product was proved to be a two-unit complex consisting of coordinated zinc(II) complex part, bis-. Such behavior may be attributed to the activity of nitrile groups in NCCD and the zinc(II) catalytic power in aqueous media. The structures of the products were confirmed by elemental analysis and single-crystal X-ray analysis. The spectral properties were analyzed by studying FTIR, UV-Visible, 1 H NMR, 13 C NMR, and XPS. Moreover, computational calculations including DFT were applied to the synthesized compounds to estimate their optimized structure and deduce some quantum parameters. The FTIR, UV-Visible, and NMR data were compared with the calculated results, showing a good agreement. Molecular docking was applied to study the interaction of NCCD and GNB-selected protein targets for Escherichia coli (ID: 5I39) and Proteus vagaries (ID: 6QF6). The isolated compounds were investigated as antibacterial, antioxidant, and anticancer agents showing variable activities.The NCCD showed a higher impact as an antimicrobial and anticancer agent, whereas the zinc complex showed better antioxidant behavior using DPPH radical scavenging activity test.

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Harnessing of non-covalent interaction in novel [Ni(en)3](2-chlorophenylacetate)2 second sphere complex: Synthesis, characterization, single crystal structural, DFT, and Hirshfeld surface analysis

Bansal,

Saini,

Kaur

et al. 2024

Struct Chem

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Synthesis, characterization, X-ray structural analysis, DFT and BSA binding study of a Zn(II) complex, [Zn(II)Cl₂(nia)₂].2nia

Cited by 5 publications

References 50 publications

New copper (II) complexes bearing tryptophan‐based Schiff bases and 2,2′‐bipyridine: Crystal structures, DNA/BSA interactions and antiproliferative activities

New copper (II) complexes bearing tryptophan‐based Schiff bases and 2,2′‐bipyridine: Crystal structures, DNA/BSA interactions and antiproliferative activities

Zinc(II)‐facilitated nucleophilic addition on N‐(4‐chlorophenyl) carbon hydrazonoyl dicyanide and hybrid complex formation: X‐ray, spectral characteristics, DFT, molecular docking, and biological studies

Harnessing of non-covalent interaction in novel [Ni(en)3](2-chlorophenylacetate)2 second sphere complex: Synthesis, characterization, single crystal structural, DFT, and Hirshfeld surface analysis

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Synthesis, characterization, X-ray structural analysis, DFT and BSA binding study of a Zn(II) complex, [Zn(II)Cl2(nia)2].2nia

Cited by 5 publications

References 50 publications

New copper (II) complexes bearing tryptophan‐based Schiff bases and 2,2′‐bipyridine: Crystal structures, DNA/BSA interactions and antiproliferative activities

New copper (II) complexes bearing tryptophan‐based Schiff bases and 2,2′‐bipyridine: Crystal structures, DNA/BSA interactions and antiproliferative activities

Zinc(II)‐facilitated nucleophilic addition on N‐(4‐chlorophenyl) carbon hydrazonoyl dicyanide and hybrid complex formation: X‐ray, spectral characteristics, DFT, molecular docking, and biological studies

Harnessing of non-covalent interaction in novel [Ni(en)3](2-chlorophenylacetate)2 second sphere complex: Synthesis, characterization, single crystal structural, DFT, and Hirshfeld surface analysis

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Synthesis, characterization, X-ray structural analysis, DFT and BSA binding study of a Zn(II) complex, [Zn(II)Cl₂(nia)₂].2nia