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Synthesis and characterization of nano crystallite carboxamide-based iron(III) complexes: SOD mimetic activity, antibacterial and anticancer activity and molecular docking study

化学 对接(动物) 八面体分子几何学 抗菌活性 八面体 体外 催化作用 立体化学 结晶学 组合化学 晶体结构 生物化学 细菌 护理部 生物 医学 遗传学
作者
Sami A. Al‐Harbi
出处
期刊:Journal of Biomolecular Structure & Dynamics [Informa]
卷期号:: 1-23 被引量:1
标识
DOI:10.1080/07391102.2023.2243341
摘要

AbstractThree carboxamide-based ligands and their iron(III) complexes were prepared and structurally characterized. Analytical, thermal and mass spectra measurements showed a 1:1 stoichiometric (M:L) of the synthesized iron(III) complexes. The distorted octahedral geometry of the present iron(III) complexes was assigned based on the results of spectroscopy and magnetometry. Processing of X-ray diffraction data for powder samples by the software Expo 2014 confirmed the octahedral geometry of the three iron(III) complexes. Electrochemical properties of the present iron(III) complexes were studied by cyclic voltammetric measurements. The present iron(III) complexes exhibit SOD like activity with IC50 values of 16.45, 15.24 and 9.70 μM. The drive forces (−λ or ΔG°) controlling these biocatalytic reactions were determined and correlated with catalytic activity. The proposed catalytic mechanistic implications for the conversion of O2•− to H2O2 and H2O were discussed. The antimicrobial activity has been studied in vitro against G(+) and G(−) pathogenic bacteria. The in vitro anticancer activity of the carboxamide-based ligands and their iron(III) complexes against human Hepatocellular carcinoma (HepG-2) cell lines was examined. The obtained results demonstrated the potent anticancer activity of iron(III) complexes with increased safety on normal cells compared to cisplatin. Molecular docking calculations confirmed the experimental findings of the antibacterial and anticancer activities of both free ligands and their iron(III) chelates.Communicated by Ramaswamy H. SarmaKeywords: Synthesiscarboxamideiron(III) chelatesSOD mimeticantibacterialanticancermolecular docking study Disclosure statementNo potential conflict of interest was reported by the author.Additional informationFundingThe author(s) reported there is no funding associated with the work featured in this article.

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