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

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dc.authorscopusidGhodrat Mahmoudi / 15765751200
dc.authorwosidGhodrat Mahmoudi / AAB-6892-2022
dc.contributor.authorAdhikari, Suman
dc.contributor.authorNath, Sourav
dc.contributor.authorKansız, Sevgi
dc.contributor.authorBalidya, Nabajyoti
dc.contributor.authorPaul, Anirban Kumar
dc.contributor.authorDege, Necmi
dc.contributor.authorŞahin, Onur
dc.contributor.authorMahmoudi, Ghodrat
dc.contributor.authorVerma, Akalesh Kumar
dc.contributor.authorSafin, Damir A.
dc.date.accessioned2025-04-18T08:42:04Z
dc.date.available2025-04-18T08:42:04Z
dc.date.issued2024
dc.departmentİstinye Üniversitesi, Mühendislik ve Doğa Bilimleri Fakültesi, Kimya Bölümü
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
dc.identifier.citationAdhikari, S., Nath, S., Kansız, S., Balidya, N., Paul, A. K., Dege, N., ... & Safin, D. A. (2024). Zinc (II) coordination compound with N′-(pyridin-2-ylmethylene) nicotinohydrazide: Synthesis, crystal structure, computational and cytotoxicity studies. Journal of Inorganic Biochemistry, 257, 112598.
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.urihttp://dx.doi.org/10.1016/j.jinorgbio.2024.112598
dc.identifier.urihttps://hdl.handle.net/20.500.12713/6593
dc.identifier.volume257
dc.identifier.wosWOS:001243682800001
dc.identifier.wosqualityQ1
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.indekslendigikaynakPubMed
dc.institutionauthorMahmoudi, Ghodrat
dc.institutionauthoridGhodrat Mahmoudi / 0000-0002-4846-5283
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.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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