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image of Synthesis and Characterization of α-(acetylhydrazono)-benzylacetic Acid and Its Complexes with Trace Elements: Molecular Docking and Antimicrobial Activities

Abstract

A new ligand containing a hydrazone group based o acetylhydrazine and phenylglyoxylic acid – α-(acetylhydrazono)-benzylacetic acid (1) and its copper (2a), zinc (2b), and manganese (2c) complexes were synthesized. The structures of the obtained compounds were investigated by IR, UV, NMR, and EPR spectroscopy. The molar ratio of the ligand and metal in the complex 2:1 was confirmed by elemental and thermogravimetric analysis. An octahedral geometry is proposed for all investigated metal complexes. , surpassing the activity of standard sodium pentachlorophenolate, which showed zones of 2.0–2.3 cm. The mechanisms of interaction between the ligand and its metal complexes with protein targets have been studied by molecular docking. Metal complexes were especially noted for offering a variety in binding mechanisms by facilitating different types of interactions. Additionally, molecular docking studies confirmed the binding stability of the ligand and metal complexes with the target proteins. These findings support the practical application of the synthesized compounds as promising candidates for drug design strategies, particularly in the development of novel antimicrobial therapeutics targeting resistant bacterial and fungal strains.

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2026-01-07
2026-01-29

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Synthesis and Characterization of α-(acetylhydrazono)-benzylacetic Acid and Its Complexes with Trace Elements: Molecular Docking and Antimicrobial Activities
Bentham Science Publishers ; https://doi.org/10.2174/0115701786413126251023111710
/content/journals/loc/10.2174/0115701786413126251023111710
/content/journals/loc/10.2174/0115701786413126251023111710
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  • Article Type:     Research Article
Keywords: phenylglyoxylic acid ; Schiff base ; trace elements ; molecular docking ; Hydrazones ; antimicrobial activities

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