Synthesis, characterization, electrochemistry, biological and molecular docking studies of the novel Co(II), Ni(II) and Cu(II) complexes derived from methanethiol bridged (2-((1H-benzodimidazol-2-yl)methylthio)-1H-benzodimidazol-6-yl)(phenyl)methanone

Sunil Kumar, N and Krishnamurthy, G and somegowda, M and Pari, M and Ravikumar Naik, TR and Jithedra Kumara, KS and Naik, S and Kandagalla, S and Naik, N (2020) Synthesis, characterization, electrochemistry, biological and molecular docking studies of the novel Co(II), Ni(II) and Cu(II) complexes derived from methanethiol bridged (2-((1H-benzodimidazol-2-yl)methylthio)-1H-benzodimidazol-6-yl)(phenyl)methanone. In: Journal of Molecular Structure, 1220 .

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Abstract

The bio-active Co(II), Ni(II) and Cu(II) complexes derived from new (2-((1H-benzodimidazol-2-yl)methylthio)-1H-benzodimidazol-5-yl)(phenyl)methanone were synthesized in good yield. The structure of these metal complexes have been characterized using IR, Uv�visible, mass spectra,1H NMR, TGA and powder XRD techniques. The spectral data of the Co(II) and Ni(II) complex indicated the tri-dentate bonding mode with the ligand and that of the Cu(II) complex is in bi-dentate bonding mode. The electrocatalytic activity of the Co(II) complex was studied by cyclic voltammeter using modified GCE towards various concentration of dopamine (DA, 3,4-dihydroxyphenethylamine). The obtained Ip value linearly increased with increasing scan rates, indicating the oxidation process of dopamine (DA) which occurred by modified Co(II) complex/GCE through diffusion controlled process. The antimicrobial, antioxidant and cytotoxicity studies of the ligand and its metal complexes were performed, the obtained results showed that the complexes are more potent bio-active as compared with uncoordinated ligand. The DNA binding property of the metal complexes were performed on double strand calf thymus DNA using electronic absorption and fluorescence emission methods, in addition, photo induced DNA cleavage activity also studied on pBR322 DNA. The molecular docking of the Co(II) complex on 6-bp DNA (PDB code: 1Z3F) and C-KIT Tyrosive kinases (TRKs) (PDB code: 1t46), further confirms the inhibition ability of the metal complex. The experimental results and the drug likeness property of the metal complexes suggest the possible applications of metal complex which, could be developed as a potent drug in the near future. © 2020 Elsevier B.V.

Item Type:	Journal Article
Publication:	Journal of Molecular Structure
Publisher:	Elsevier B.V.
Additional Information:	Copy right for this article belongs to Elsevier B.V.
Keywords:	Amines; Binding energy; C (programming language); Cobalt compounds; Codes (symbols); Copper compounds; DNA; Gene encoding; Ligands; Mass spectrometry; Metal complexes; Metals; Molecular modeling; Neurophysiology; Synthesis (chemical), Cyclic voltammeters; Diffusion-controlled process; DNA-binding properties; Electrocatalytic activity; Electronic absorption; Fluorescence emission; Molecular docking; Oxidation process, Nickel compounds
Department/Centre:	Division of Interdisciplinary Sciences > Centre for Nano Science and Engineering
Date Deposited:	15 Dec 2020 10:05
Last Modified:	15 Dec 2020 10:05
URI:	http://eprints.iisc.ac.in/id/eprint/65952

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