A comparative study on the synthesis and crystal structures of Ni(<scp>ii</scp>) complexes bearing tetradentate N<sub>2</sub>O<sub>2</sub> donor Schiff bases: biomolecular interactions, cytotoxicities and molecular docking

İnci Özbağcı, Duygu; İlkar Erdağı, Sevinç; Aydın, İpek; Aydın, Rahmiye; Zorlu, Yunus; Arı, Ferda

doi:10.1039/d4nj01051e

New J. Chem.

2024

DOI: 10.1039/d4nj01051e

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A comparative study on the synthesis and crystal structures of Ni(ii) complexes bearing tetradentate N₂O₂ donor Schiff bases: biomolecular interactions, cytotoxicities and molecular docking

Duygu İnci Özbağcı,

Sevinç İlkar Erdağı,

İpek Aydın

et al.

Abstract: Schiff bases are most the widely used class of molecules and their metal complexes are utilized as medicinally important scaffolds due to their versatile biological profile. So herein, we have...

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2024

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Cited by 3 publications

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Novel Ni(II) Complexes as Minor Groove Binders: Crystal Structures, Biomolecular Interactions, Molecular Docking, and Biological Activities

Özbağcı

2024

Applied Organom Chemis

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A novel ternary Ni(II) complexes, [Ni(5Clsal‐phe)(phen)(H2O)] (1) and [Ni(5Clsal‐phe)(bpy)(H2O)]CH3OH (2), (Schiff base derived from the condensation of L‐phenylalanine and 5‐chlorosalicylaldehyde, phen: 1,10‐phenanthroline, bpy: 2,2′‐bipyridine) has been synthesized. The structure of the complexes was clarified by CHN analysis, FTIR, electronic absorption spectroscopy, ESI‐MS, and X‐ray single crystal diffraction methods. In biological activity studies, the interactions of the complexes with calf thymus DNA (CT‐DNA) were examined using fluorescence spectroscopy. The results show that the complexes could bind to CT‐DNA via a minor groove mode. The interactions of the complexes with bovine serum albumin (BSA) were investigated using electronic absorption and fluorescence spectroscopy techniques, and the BSA quenching mechanism was found. The radical scavenging activity of the complexes was investigated in comparison with hederacolchiside, taxifoline, hederasaponin, arachidonoyl dopamine, and silychristin used as standard. Molecular docking simulations were employed to investigate the interactions between the complexes and biomolecules such as DNA and BSA. The results revealed that the complexes insert into DNA via the minor groove and bind to BSA at subdomains I and IIA. These interactions are facilitated by conventional hydrogen bonds, van der Waals forces, alkyl, and π‐alkyl interactions.

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Novel Ni(II) Complexes as Minor Groove Binders: Crystal Structures, Biomolecular Interactions, Molecular Docking, and Biological Activities

Özbağcı

2024

Applied Organom Chemis

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Crystal Structures and Biological Profiles of Novel Tridentate Schiff Bases Nickel (II) Complexes

Özbağcı,

Erdağı,

Aydın

et al. 2024

Applied Organom Chemis

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Novel bioactive ternary nickel (II) complexes, [Ni(5BrSal‐Phe)(phen)] (1) and [Ni(5BrSal‐Tyr)(phen)] (2) (5BrSal‐Tyr: Schiff base derived from 5‐bromosalicylaldehyde and L‐tyrosine, 5BrSal‐Phe: Schiff base derived from 5‐bromosalicylaldehyde and L‐phenylalanine, phen: 1,10‐phenanthroline), have been synthesized and characterized by electronic absorption spectroscopy, CHN, FTIR, ESI‐MS and X‐ray crystallography techniques. Interaction of the complexes with biomolecules (calf thymus DNA (CT‐DNA) and bovine serum albumin (BSA)) has been investigated by electronic absorption and fluorescence spectroscopy. The results show that the complexes can bind to CT‐DNA via a minor groove binding mode. Moreover, the fluorescence quenching mechanism between the complexes and BSA is a static quenching process. The antiproliferative activities of the complexes against breast cancer cells (MCF‐7 and MDA‐MB‐231) and healthy breast epithelial cells (MCF‐10A) were investigated. The complex 2 was found to have promising antiproliferative activity in selected cell line, with lower IC50 values than cisplatin. Molecular docking studies suggest that the complexes may serve as potential chemotherapeutic agents. These complexes have been observed to interact with various targets within cells, including the epidermal growth factor receptor (EGFR), bovine serum albumin (BSA), and B‐DNA. Analyses indicate that these interactions are supported not only by conventional hydrogen bonds but also van der Waals forces and π‐π interactions. Additionally, determining binding constants and regions enhances our understanding of how the complexes interact with target molecules. The results emphasize the importance of the complexes in cancer therapy by highlighting the necessity of understanding their molecular‐level interactions with targets.

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Synthesis and characterization of nano-Plaster of Paris from Babylonia japonica, Oliva sayana, and Conasprella bermudensis

Kawsar,

Sahadat Hossain,

Akter

et al. 2024

Cleaner Waste Systems

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A comparative study on the synthesis and crystal structures of Ni(ii) complexes bearing tetradentate N₂O₂ donor Schiff bases: biomolecular interactions, cytotoxicities and molecular docking

Abstract: Schiff bases are most the widely used class of molecules and their metal complexes are utilized as medicinally important scaffolds due to their versatile biological profile. So herein, we have...

Cited by 3 publications

References 83 publications

Novel Ni(II) Complexes as Minor Groove Binders: Crystal Structures, Biomolecular Interactions, Molecular Docking, and Biological Activities

Novel Ni(II) Complexes as Minor Groove Binders: Crystal Structures, Biomolecular Interactions, Molecular Docking, and Biological Activities

Crystal Structures and Biological Profiles of Novel Tridentate Schiff Bases Nickel (II) Complexes

Synthesis and characterization of nano-Plaster of Paris from Babylonia japonica, Oliva sayana, and Conasprella bermudensis

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A comparative study on the synthesis and crystal structures of Ni(ii) complexes bearing tetradentate N2O2 donor Schiff bases: biomolecular interactions, cytotoxicities and molecular docking

Abstract: Schiff bases are most the widely used class of molecules and their metal complexes are utilized as medicinally important scaffolds due to their versatile biological profile. So herein, we have...

Cited by 3 publications

References 83 publications

Novel Ni(II) Complexes as Minor Groove Binders: Crystal Structures, Biomolecular Interactions, Molecular Docking, and Biological Activities

Novel Ni(II) Complexes as Minor Groove Binders: Crystal Structures, Biomolecular Interactions, Molecular Docking, and Biological Activities

Crystal Structures and Biological Profiles of Novel Tridentate Schiff Bases Nickel (II) Complexes

Synthesis and characterization of nano-Plaster of Paris from Babylonia japonica, Oliva sayana, and Conasprella bermudensis

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Product

Resources

About

A comparative study on the synthesis and crystal structures of Ni(ii) complexes bearing tetradentate N₂O₂ donor Schiff bases: biomolecular interactions, cytotoxicities and molecular docking