Synthesis, antimicrobial and insilico ADME studies of pharmacologically potent metal macrocycle

Antimicrobial resistance poses a growing concern to global public health, necessitating creative ways to create novel metal complexes that lessen the likelihood of antimicrobial resistance spreading across various infectious bacteria. A new series of 14-membered tetra azamacrocyclic [N4] complexes featuring trivalent transition metal ions has been synthesized via a [2 + 2] template condensation method. The resulting complexes have the general formula [MLX]X₂ who, where L is a tetraazamacrocyclic ligand formed from 1,8-diaminonaphthalene and 2,5-thiophenedicarboxaldehyde. The metal center (M) is either Cr(III) or Fe(III), and X represents counterions such as Cl⁻, NO₃⁻, or CH₃COO⁻. For Cr(III) complexes, y equals one, whereas for Fe(III) complexes, y is zero. The structures and geometries of these complexes were characterized using a combination of techniques, including CHN elemental analysis, IR spectroscopy, UV-Vis spectroscopy, ESI-MS, TGA, molar conductivity, magnetic susceptibility, and EPR spectroscopy. The synthesized macrocyclic complexes were also evaluated for their antimicrobial activity against selected pathogenic bacterial and fungal strains, showing promising inhibitory effects by compound VT8 & VT11. Furthermore, their pharmacokinetic profiles were assessed using the SWISS ADME software.