Dinuclear gallium(III) complex with 1,3-propanediamine-N, N'-diacetate : structural characterization, antimicrobial activity, and DNA/BSA interactions

Pantović, Bojana V. (avtor), Ašanin, Darko P. (avtor), Milanović, Žiko (avtor), Perdih, Franc (avtor), Ilić-Tomić, Tatjana (avtor), Radanović, Dušanka (avtor), Turel, Iztok (avtor), Djuran, Miloš I. (avtor), Glišić, Biljana (avtor)

In this study, a tetradentate 1,3-propanediamine-N,N′-diacetate (1,3-pdda$^{2−}$) was utilized for the synthesis of a dinuclear gallium(III) complex, uns-cis-[Ga(1,3-pdda)(µ-OH)]$_2\cdot$2H$_2$O (1). Complex 1 was characterized using IR and NMR ($^1$H and $^{13}$C) spectroscopy, and its crystal structure was determined by single-crystal X-ray diffraction analysis. Both Ga(III) ions in Complex 1 exhibit octahedral geometry, with each ion coordinated by two nitrogen and two oxygen atoms from the 1,3-pdda$^{2–}$ ligand, as well as two oxygen atoms from the bridging hydroxyl groups. IR and NMR ($^1$H and $^{13}$C) spectra were simulated using DFT methods, showing a high degree of correlation with experimental data. Hirshfeld surface analysis provided insights into intermolecular interactions, with H⋯O and H⋯H interactions contributing significantly to the crystal stability. The antimicrobial potential of Complex 1 was evaluated alongside previously synthesized gallium(III) complexes, Na[Ga(1,3-pdta)]·3H$_2$O (2) and Ba[Ga(1,3-pndta)]2·3H$_2$O (3), with 1,3-pdta$^{4−}$ (1,3-propanediamine-N,N,N′,N′-tetraacetate) and 1,3-pndta$^{4−}$ ((±)-1,3-pentanediamine-N,N,N′,N′-tetraacetate), respectively. Among all the tested microbial species, the gallium(III) complexes have shown selective activity against Pseudomonas aeruginosa PAO1 strain and were able to reduce pyocyanin production by 40–43% in the clinical isolate BK25H of this bacterium. Moreover, Complexes 1–3 can modulate the quinolone-mediated quorum sensing system in P. aeruginosa PAO1. Interaction studies with calf thymus DNA (ct-DNA) and bovine serum albumin (BSA) were conducted to evaluate the binding affinity and mode of interaction of Complex 1 with key biomolecules, aiming to assess its potential for transport via serum proteins and its safety profile in terms of DNA interactions. Spectrofluorimetric experiments and molecular docking revealed that Complex 1 binds strongly to the Site I on BSA, with weaker interactions at the Site II. While spectrofluorimetric studies showed that Complex 1 has a slight affinity for minor groove binding or intercalation to ct-DNA, docking studies suggested some minor groove binding, especially in larger DNA sequences, with enhanced stabilization in 10-bp-DNA through hydrogen and carbon bonds.

• Jezik: Angleški jezik
• Ključne besede: aminocarboxylate ligand, antimicrobial activity, DNA/BSA interactions, gallium(III) complexes, structural characterization
• Vrsta gradiva: Članek v reviji
• Tipologija: 1.01 - Izvirni znanstveni članek
• Organizacija: FKKT - Fakulteta za kemijo in kemijsko tehnologijo
• Status publikacije: Objavljeno
• Različica publikacije: Objavljena publikacija
• Leto izida: 2025
• Št. strani: 25 str.
• Številčenje: Vol. 2025, art. 8097589
• PID: 20.500.12556/RUL-168572
• UDK: 546.681:547.466
• ISSN pri članku: 1565-3633
• DOI: 10.1155/bca/8097589
• COBISS.SI-ID: 233126403
• Datum objave v RUL: 17.04.2025

Gradivo je del revije

• Naslov: Bioinorganic chemistry and applications
• Založnik: Wiley-VCH
• ISSN: 1565-3633
• COBISS.SI-ID: 776495

Licence

• Licenca: CC BY 4.0, Creative Commons Priznanje avtorstva 4.0 Mednarodna
• Povezava: http://creativecommons.org/licenses/by/4.0/deed.sl
• Opis: To je standardna licenca Creative Commons, ki daje uporabnikom največ možnosti za nadaljnjo uporabo dela, pri čemer morajo navesti avtorja.

Sekundarni jezik

• Jezik: Slovenski jezik
• Ključne besede: aminokarboksilatni ligand, protimikrobna aktivnost, interakcije DNA/BSA, galijevi(III) kompleksi, strukturna karakterizacija