Zinc(II) coordination compound with N ′-(pyridin-2-ylmethylene) nicotinohydrazide: Synthesis, crystal structure, computational and cytotoxicity studies

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dc.authoridDege, Necmi/0000-0003-0660-4721
dc.authoridADHIKARI, SUMAN/0000-0002-6382-5400
dc.authoridMahmoudi, Ghodrat/0000-0002-4846-5283
dc.authoridNath, Sourav/0009-0003-5264-7965
dc.contributor.authorAdhikari, Suman
dc.contributor.authorNath, Sourav
dc.contributor.authorKansiz, Sevgi
dc.contributor.authorBalidya, Nabajyoti
dc.contributor.authorPaul, Anirban Kumar
dc.contributor.authorDege, Necmi
dc.contributor.authorSahin, Onur
dc.date.accessioned2025-03-23T19:41:11Z
dc.date.available2025-03-23T19:41:11Z
dc.date.issued2024
dc.departmentSinop Üniversitesi
dc.description.abstractIn this work, we report on the synthesis of a novel zinc(II) coordination compound [ZnL 2 ] ( 1 ), which was readily obtained from the reaction of Zn(OAc) & sdot; 2H 2 O 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 & sdot; H 2 O. Complex 1 & sdot; H 2 O was characterized by FT-IR and 1 H 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).
dc.description.sponsorshipGovt. Degree College (Dharmanagar, Tripura [799253]; Department of Biotechnology (Government of India) [BT/INF/22/SP45376/2022]
dc.description.sponsorshipS. Adhikari acknowledges support from Govt. Degree College (Dharmanagar, Tripura (N) -799253, India). A.K. Paul and A.K. Verma acknowledge support from the Department of Biotechnology (Government of India) for using resources of an ongoing project (No. BT/INF/22/SP45376/2022).
dc.identifier.doi10.1016/j.jinorgbio.2024.112598
dc.identifier.issn0162-0134
dc.identifier.issn1873-3344
dc.identifier.pmid38763101
dc.identifier.scopus2-s2.0-85193454579
dc.identifier.scopusqualityQ1
dc.identifier.urihttps://doi.org/10.1016/j.jinorgbio.2024.112598
dc.identifier.urihttps://hdl.handle.net/11486/6512
dc.identifier.volume257
dc.identifier.wosWOS:001243682800001
dc.identifier.wosqualityQ1
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.indekslendigikaynakPubMed
dc.language.isoen
dc.publisherElsevier Science Inc
dc.relation.ispartofJournal of Inorganic Biochemistry
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20250323
dc.subjectNicotinohydrazide
dc.subjectZinc
dc.subjectCrystal structure
dc.subjectDFT
dc.subjectCytotoxicity
dc.subjectMolecular docking
dc.titleZinc(II) coordination compound with N ′-(pyridin-2-ylmethylene) nicotinohydrazide: Synthesis, crystal structure, computational and cytotoxicity studies
dc.typeArticle

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