article · Frontiers in Chemistry
This research outlines the synthesis and characterisation of three new metal complexes pairing palladium(II), copper(II), and copper(I) with a novel acetohydrazide-derived ligand. The structural properties and thermal behaviour of the compounds were verified through techniques including infrared spectroscopy, nuclear magnetic resonance, electronic spectra, and powder X-ray diffraction, complemented by density functional theory calculations to determine optimal molecular geometries. The study also examined how gamma irradiation affects the ligand and its metal chelates, evaluating their antimicrobial performance before and after exposure. Notably, following gamma irradiation, the copper(I) complex showed increased antibacterial activity that surpassed common standard medications such as ampicillin and gentamicin. The irradiated copper(I) complex also demonstrated stronger antifungal effects than the reference drug nystatin, with molecular docking exploring binding interactions against the topoisomerase enzyme.
Rising resistance to standard antibiotics and antifungals poses a growing challenge for public health. Finding new chemical compounds that can outshine established medications offers potential alternative routes to fight microbial infections. This work shows that combining specific metals with targeted organic ligands, alongside techniques such as gamma irradiation, can produce potent antimicrobial candidates.
The findings are relevant to pharmaceutical developers seeking novel antimicrobial drug candidates. The irradiated copper(I) complex could eventually inform new formulations to combat bacterial and fungal strains. However, this is early-stage laboratory research involving fundamental synthesis, characterisation, and initial in vitro and docking screens. Considerable pre-clinical testing, toxicity profiling, and in vivo trials remain necessary before any commercial therapeutic use can be realised.
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The main objective of this study is to synthesize and characterize of a new three complexes of Pd (II), Cu (II), and Cu (I) metal ions with novel ligand ((Z)-2-(phenylamino)-N'-(thiophen-2-ylmethylene)acetohydrazide) H 2 L B . The structural composition of new compounds was assessed using several analytical techniques including FT-IR, 1 H-NMR, electronic spectra, powder X-ray diffraction, and thermal behavior analysis. The Gaussian09 program employed the Density Functional Theory (DFT) approach to optimize the geometry of all synthesized compounds, therefore obtaining the most favorable structures and crucial parameters. An investigation was conducted to examine the impact of γ-irradiation on ligands and complexes. Before and after γ-irradiation, the antimicrobial efficiency was investigated for the activity of ligands and their chelates. The Cu(I) complex demonstrated enhanced antibacterial activity after irradiation, as well as other standard medications such as ampicillin and gentamicin. Similarly, the Cu(I) complex exhibited superior activity against antifungal species relative to the standard drug Nystatin. The docking investigation utilized the target location of the topoisomerase enzyme (2xct) chain A.
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DOI: 10.3389/fchem.2024.1357330
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