Polynuclear silver(I)–quinoxaline complex : comprehensive structural characterization, antimycobacterial properties and DNA/BSA binding study

Bouz, Ghada (avtor), Stevanović, Nevena Lj. (avtor), Počkaj, Marta (avtor), Andrejević, Tina P. (avtor), Turel, Iztok (avtor), Jand’ourek, Ondřej (avtor), Konečná, Klára (avtor), Milanović, Žiko (avtor), Milisavljević, Kristina (avtor), Glišić, Biljana (avtor)

Background: Silver(I) complexes with aromatic heterocyclic ligands are well known for their broad antimicrobial potential, largely attributed to their ability to interact with biomolecular targets. Results and Discussion: In this study, a new polynuclear silver(I) complex with N-(3′-phenylpropyl)quinoxaline-2-carboxamide (pqx-2ca), [Ag(NO$_3$)(pqx-2ca)]$_n$, was synthesized. Its structure was confirmed by single-crystal X-ray diffraction and comprehensively characterized using NMR, IR, and UV–Vis spectroscopy, while its behavior in solution was further elucidated through density functional theory (DFT) calculations combined with spectral simulations. The complex demonstrated significantly enhanced antimycobacterial activity compared with the free ligand when tested against the avirulent Mycobacterium tuberculosis H37Ra, fast-growing model organisms M. smegmatis and M. aurum, as well as the nontuberculous species M. avium and M. kansasii. Experimental and docking studies confirmed stable binding of the complex to subdomain III of bovine serum albumin (BSA) and to the minor groove of DNA. Furthermore, docking to validated mycobacterial targets revealed inhibitory potential toward the InhA and MmpL3 proteins, with binding affinities comparable to those of standard inhibitors. Conclusions: These results highlight [Ag(NO$_3$)(pqx-2ca)]$_n$ as a promising candidate for the development of silver-based antimycobacterial agents with a dual mechanism of action involving both DNA and protein targets.

• Jezik: Angleški jezik
• Ključne besede: N-substituted quinoxaline-2-carboxamides, silver(I) complexes, antimycobacterial activity, DNA interaction, protein interaction
• 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: 2026
• Št. strani: 26 str.
• Številčenje: Vol. 18, iss. 2, art. 169
• PID: 20.500.12556/RUL-179689
• UDK: 546.571:547.83
• ISSN pri članku: 1999-4923
• DOI: 10.3390/pharmaceutics18020169
• COBISS.SI-ID: 266427651
• Datum objave v RUL: 20.02.2026

Gradivo je del revije

• Naslov: Pharmaceutics
• Skrajšan naslov: Pharmaceutics
• Založnik: MDPI
• ISSN: 1999-4923
• COBISS.SI-ID: 517949977

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: N-substituirani kinoksalin-2-karboksamidi, srebrovi(I) kompleksi, antimikrobna aktivnost, interakcije z DNA, interakcija s proteini