20.500.12556/RUL-179689 Polynuclear silver(I)–quinoxaline complex comprehensive structural characterization, antimycobacterial properties and DNA/BSA binding study 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. N-substituted quinoxaline-2-carboxamides silver(I) complexes antimycobacterial activity DNA interaction protein interaction N-substituirani kinoksalin-2-karboksamidi srebrovi(I) kompleksi antimikrobna aktivnost interakcije z DNA interakcija s proteini true false true Angleški jezik Slovenski jezik Članek v reviji 2026-02-20 11:52:40 2026-02-20 11:52:41 2026-02-21 04:40:47 0000-00-00 00:00:00 2026 0 0 26 str. iss. 2, art. 169 Vol. 18 Feb. 2026 0000-00-00 Zaloznikova Objavljeno NiDoloceno 0000-00-00 0000-00-00 0000-00-00 546.571:547.83 1999-4923 10.3390/pharmaceutics18020169 266427651 RAZ_Bouz_Ghada_2026.pdf RAZ_Bouz_Ghada_2026.pdf 1 33FECC0EB5EDA29835DC555FA3FF4995 5512b84e91408096f567aeca3bbaa13a391ec5f86246710e5aa7424022f0d08f 3e53499a-0e4b-11f1-a1ba-0050569b8976 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=228467 https://www.mdpi.com/1999-4923/18/2/169 1 06a5239a-0e4a-11f1-a1ba-0050569b8976 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=228466 Fakulteta za kemijo in kemijsko tehnologijo 0 0 0