Synthesis, characterization and cytotoxic evaluation of metal complexes derived from new N′-(2-cyanoacetyl)isonicotinohydrazide

Abstract The novel ligand (H2L), N’-(2-cyanoacetyl)isonicotinohydrazide, has been synthesized via reacting the isonicotinic hydrazide with 1-cyanoacetyl-3,5-dimethylpyrazole. The keto-form of the free ligand has been evoked from its spectral data. Based on elemental analyses and mass spectra, the li...

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Main Authors: Mohamed H. Abdel-Rhman, Ghada Samir, Nasser M. Hosny
Format: Article
Language:English
Published: Nature Portfolio 2025-06-01
Series:Scientific Reports
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Online Access:https://doi.org/10.1038/s41598-025-07689-w
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author Mohamed H. Abdel-Rhman
Ghada Samir
Nasser M. Hosny
author_facet Mohamed H. Abdel-Rhman
Ghada Samir
Nasser M. Hosny
author_sort Mohamed H. Abdel-Rhman
collection DOAJ
description Abstract The novel ligand (H2L), N’-(2-cyanoacetyl)isonicotinohydrazide, has been synthesized via reacting the isonicotinic hydrazide with 1-cyanoacetyl-3,5-dimethylpyrazole. The keto-form of the free ligand has been evoked from its spectral data. Based on elemental analyses and mass spectra, the ligand formed 1:1 (M: L) metal complexes with the acetate salts of Cu(II), Co(II), Ni(II) and Zn(II). The complexes’ spectral analyses revealed that the ligand behaved as a mononegative bidentate via the hydrazonyl N1 and deprotonated enolized acetyl oxygen. Moreover, the DFT quantum chemical calculations revealed that the ligand had higher HOMO and lower LUMO energies than metal complexes, implying an electron donating character. Furthermore, the in vitro anticancer activity against HepG2 and HCT-116 cell lines displayed that the ligand was more potent than doxorubicin against both cell lines, although the metal complexes displayed lower efficacy.
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publishDate 2025-06-01
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spelling doaj-art-e0791f1e2cff4edb8aa8a173e576e53a2025-08-20T03:31:41ZengNature PortfolioScientific Reports2045-23222025-06-0115111710.1038/s41598-025-07689-wSynthesis, characterization and cytotoxic evaluation of metal complexes derived from new N′-(2-cyanoacetyl)isonicotinohydrazideMohamed H. Abdel-Rhman0Ghada Samir1Nasser M. Hosny2Chemistry Department, Faculty of Science, Mansoura UniversityChemistry Department, Faculty of Science, Port Said UniversityChemistry Department, Faculty of Science, Port Said UniversityAbstract The novel ligand (H2L), N’-(2-cyanoacetyl)isonicotinohydrazide, has been synthesized via reacting the isonicotinic hydrazide with 1-cyanoacetyl-3,5-dimethylpyrazole. The keto-form of the free ligand has been evoked from its spectral data. Based on elemental analyses and mass spectra, the ligand formed 1:1 (M: L) metal complexes with the acetate salts of Cu(II), Co(II), Ni(II) and Zn(II). The complexes’ spectral analyses revealed that the ligand behaved as a mononegative bidentate via the hydrazonyl N1 and deprotonated enolized acetyl oxygen. Moreover, the DFT quantum chemical calculations revealed that the ligand had higher HOMO and lower LUMO energies than metal complexes, implying an electron donating character. Furthermore, the in vitro anticancer activity against HepG2 and HCT-116 cell lines displayed that the ligand was more potent than doxorubicin against both cell lines, although the metal complexes displayed lower efficacy.https://doi.org/10.1038/s41598-025-07689-wIsoniazidSpectroscopic studiesChelation ligandDFT modelingCytotoxicity activity
spellingShingle Mohamed H. Abdel-Rhman
Ghada Samir
Nasser M. Hosny
Synthesis, characterization and cytotoxic evaluation of metal complexes derived from new N′-(2-cyanoacetyl)isonicotinohydrazide
Scientific Reports
Isoniazid
Spectroscopic studies
Chelation ligand
DFT modeling
Cytotoxicity activity
title Synthesis, characterization and cytotoxic evaluation of metal complexes derived from new N′-(2-cyanoacetyl)isonicotinohydrazide
title_full Synthesis, characterization and cytotoxic evaluation of metal complexes derived from new N′-(2-cyanoacetyl)isonicotinohydrazide
title_fullStr Synthesis, characterization and cytotoxic evaluation of metal complexes derived from new N′-(2-cyanoacetyl)isonicotinohydrazide
title_full_unstemmed Synthesis, characterization and cytotoxic evaluation of metal complexes derived from new N′-(2-cyanoacetyl)isonicotinohydrazide
title_short Synthesis, characterization and cytotoxic evaluation of metal complexes derived from new N′-(2-cyanoacetyl)isonicotinohydrazide
title_sort synthesis characterization and cytotoxic evaluation of metal complexes derived from new n 2 cyanoacetyl isonicotinohydrazide
topic Isoniazid
Spectroscopic studies
Chelation ligand
DFT modeling
Cytotoxicity activity
url https://doi.org/10.1038/s41598-025-07689-w
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