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Title
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Zinc(II) coordination compound with N′-(pyridin-2-ylmethylene) nicotinohydrazide: Synthesis, crystal structure, computational and cytotoxicity studies
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Type
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JournalPaper
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Keywords
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Nicotinohydrazide Zinc Crystal structure DFT Cytotoxicity Molecular docking
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Abstract
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In this work, we report on the synthesis of a novel zinc(II) coordination compound [ZnL2] (1), which was readily obtained from the reaction of Zn(OAc)⋅2H2O and N′-(pyridin-2-ylmethylene)nicotinohydrazide (HL) in methanol. Recrystallization of 1 from dimethylformamide under ambient conditions allowed to produce yellow blocklike crystals of 1⋅H2O. Complex 1⋅H2O was characterized by FT-IR and 1H NMR spectroscopy, while its optical properties were studied by UV–vis and spectrofluorimetry in methanol. The crystal structure of the title complex was revealed by single crystal X-ray diffraction and further explored in detail by the Hirshfeld surface analysis. Theoretical investigations based on the DFT calculations have also been applied to show the electronic properties of complex 1. The antitumor activities of the parent ligand HL and complex 1 were studied using Dalton’s lymphoma malignant cancer model. Both compounds were found to induce concentration-dependent cytotoxicity and apoptotic cell death, leading to a decrease in cell viability, body weight, and tumor volume in mice with the superior activity of complex 1 over HL. Mice treated with complex 1 demonstrated an increase in life span with a survival period of 23 days. Finally, using a molecular docking approach, we have probed complex 1 to inhibit the recombinant mouse tumor-necrosis factor alpha (mTNF).
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Researchers
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Damir A Safin (Not In First Six Researchers), Akalesh Kumar Verma (Not In First Six Researchers), Ghodrat Mahmoudi (Not In First Six Researchers), Onur Şahin (Not In First Six Researchers), Necmi Dege (Not In First Six Researchers), Anirban Kumar Paul (Fifth Researcher), Nabajyoti Baildya (Fourth Researcher), Sevgi Kansız (Third Researcher), Sourav Nath (Second Researcher), Suman Adhikari (First Researcher)
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