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

IF 3.9 2区综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES

Scientific Reports Pub Date : 2025-06-27 DOI:10.1038/s41598-025-07689-w

Mohamed H Abdel-Rhman, Ghada Samir, Nasser M Hosny

引用次数: 0

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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新型N′-（2-氰乙酰基）异烟碱肼金属配合物的合成、表征及细胞毒性评价。

通过异烟碱肼与1-氰乙酰-3,5-二甲基吡唑反应，合成了新型配体N′-（2-氰乙酰基）异烟碱肼（H2L）。从光谱数据中得到了游离配体的酮型。根据元素分析和质谱分析，该配体与Cu（II）、Co（II）、Ni（II）和Zn（II）等乙酸盐形成1:1 （M: L）的金属配合物。配合物的光谱分析表明，该配体通过肼酰基N1和烯化乙酰氧表现为单负双齿化合物。此外，DFT量子化学计算表明，配体比金属配合物具有更高的HOMO和更低的LUMO能量，这意味着配体具有给电子特性。此外，对HepG2和HCT-116细胞系的体外抗癌活性表明，尽管金属配合物的效果较低，但该配体对这两种细胞系的抗癌活性都比阿霉素强。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Scientific Reports Natural Science Disciplines-

CiteScore

7.50

自引率

4.30%

发文量

19567

审稿时长

3.9 months

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