Akademik Veri Yönetim Sistemi
Journal of Molecular Structure, cilt.1362, 2026 (SCI-Expanded, Scopus)
Three centrosymmetric binuclear acetate-bridged copper(II) complexes with square-pyramidal coordination, [Cu2(L1–3)2(µ-OAc-κO:κO)2], were prepared and comprehensively characterized, where L represents an imine derived from salicylaldehyde and its 5-halogenated derivatives with 8-aminoquinoline. Complex (1), based on the unsubstituted salicylaldehyde, its 5‑bromo analogue (3), alongside with the revisited 5‑chloro derivative (2) with significantly improved crystallographic data establish a complete and internally consistent structural series. Structural and spectroscopic analyses were complemented by quantum-chemical calculations, biomolecular binding studies, and antimicrobial assays. According to EPR data, the complexes exist as a mixture of mononuclear and dinuclear species in DMSO solution, while the addition of water shifts the equilibrium toward the dimeric form. Strong binding to bovine serum albumin (Kb > 105M–1) was observed, while calf thymus DNA interactions were moderate, characterized by hypochromism, slight bathochromic shifts, and competitive binding in the CT DNA-EtBr system, consistent with partial intercalation. Reactive oxygen species generation was confirmed spectrophotometrically. All three complexes exhibited broad-spectrum antimicrobial activity against Gram-positive and Gram-negative bacteria, as well as fungi. Docking simulations with Staphylococcus aureus targets including penicillin-binding protein 2a (1 MWR), topoisomerase IV subunit A (2INR), the catalytic core of DNA gyrase (2XCQ), and the pore-forming toxin PVL (6U3F), revealed favourable binding energies at sites crucial for cell wall biosynthesis and DNA replication. Remarkably, complex (2) displayed a fungicidal MFC of 0.039 mg mL–1against Candida albicans, over fifteen times lower than that of nystatin.