article · Materials
Researchers have synthesised a novel heterocyclic azo dye ligand by combining 4-amino antipyrine with 4-aminophenol, subsequently producing eight metal complexes incorporating chromium, manganese, iron, cobalt, nickel, copper, zinc, and cadmium in high yields. Detailed structural, thermal, and spectroscopic analyses demonstrated that the ligand acts as a neutral tridentate coordinator. Most resulting complexes adopt an octahedral geometry and behave as electrolytes, with the exception of the zinc and cadmium variants. Theoretical investigations using density functional theory corroborated the experimental structural and electronic properties. Biological testing against various microbial strains revealed that most of the metal complexes exhibited excellent antimicrobial activity when compared with standard reference drugs. Complementary molecular docking simulations clarified the binding modes and interaction energies of the compounds against an Escherichia coli receptor, demonstrating their viability as antibacterial candidates.
Infectious microbial diseases pose a persistent challenge, necessitating the continuous discovery of new therapeutic agents. By synthesising new metal complexes with verified antibacterial performance against microbial targets, this research provides candidate chemical structures that could inform the discovery of next-generation antimicrobial treatments.
This work represents early-stage laboratory research that could interest pharmaceutical and biotechnology organisations pursuing new antimicrobial formulations. The tested compounds demonstrate strong antibacterial activity in screening assays and molecular docking against Escherichia coli. Substantial further testing, including cytotoxicity, in vivo efficacy, and clinical development, is required before any commercial or therapeutic application can be realised.
AI-generated from the published abstract. Always read the original work before citing.
A new heterocyclic azo dye ligand (L) was synthesized by the combination of 4-amino antipyrine with 4-aminophenol. The new Cr(III), Mn(II), Fe(III), Co(II), Ni(II), Cu(II), Zn(II), and Cd(II) complexes were synthesized in excellent yields. The metal chelate structures were elucidated using elemental analyses, FT-IR, 1H-NMR, mass, magnetic moment, diffused reflectance spectral and thermal analysis (TG-DTG), and molar conductivity measurement. According to the FT-IR study, the azo dye ligand exhibited neutral tri-dentate behavior, binding to the metal ions with the azo N, carbonyl O, and protonated phenolic OH. The 1H-NMR spectral study of the Zn(II) complex supported the coordination of the zo dye ligand without proton displacement of the phenolic OH. Diffused reflectance and magnetic moment studies revealed the octahedral geometry of the complexes, as well as their good electrolytic nature, excepting the Zn(II) and Cd(II) complexes, which were nonelectrolytes, as deduced from the molar conductivity study. The theoretical calculations of optimized HOMO–LUMO energies, geometrical parameters, electronic spectra, natural atomic charges, 3D-plots of MEP, and vibrational wavenumbers were computed and elucidated using LANL2DZ and 6-311G (d, p) basis sets of density functional theory (DFT) with the approach of B3LYP DFT and TD-DFT methods. The ligand and complexes have been assayed for their antimicrobial activity and compared with the standard drugs. Most of the complexes have manifested excellent antimicrobial activity against various microbial strains. A molecular docking investigation was also performed, to acquire more information about the binding mode and energy of the ligand and its metal complexes to the Escherichia coli receptor using molecular docking. Altogether, the newly created ligand and complexes showed positive antibacterial effects and are worth future study.
This page summarises published work. The authoritative version sits with the publisher.
DOI: 10.3390/ma16030897
Is something wrong with this record? Report it or request removal.
Discussion
Have you built on this work, tried to replicate it, or seen it applied in practice? Share what you know. Verified researchers and MARATTO™ domain experts can open a discussion, and any member can reply. Contributions are reviewed before they appear.
No discussion yet. Open the first thread.
New to MARATTO™? Create a free account.
