New Zinc(II) Coordination Compound with 1,10-Phenanthroline and Maleate: Comprehensive Structural Analysis, Periodic-DFT Calculations, and Evaluation of Biological Potential

enzyme (ΔG = -7.4 kJ/mol), suggesting enzyme inhibition as the primary mechanism. This work establishes a multidisciplinary framework for rational Zn-coordination compounds design while highlighting critical needs for toxicological validation and structural optimization to enhance potency and broaden antimicrobial spectrum.