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Article

Polynuclear Silver(I)–Quinoxaline Complex: Comprehensive Structural Characterization, Antimycobacterial Properties and DNA/BSA Binding Study

by
Ghada Bouz
1,2,
Nevena L. Stevanović
3,
Marta Počkaj
4,
Tina P. Andrejević
3,
Iztok Turel
4,
Ondřej Jand’ourek
1,
Klára Konečná
1,
Žiko Milanović
5,*,
Kristina Milisavljević
5 and
Biljana Đ. Glišić
3,*
1
Faculty of Pharmacy in Hradec Králové, Charles University, Akademika Heyrovského 1203, 500 03 Hradec Králové, Czech Republic
2
Faculty of Pharmacy, University of Business Academy in Novi Sad, Heroja Pinkija 4, 21000 Novi Sad, Serbia
3
Department of Chemistry, Faculty of Science, University of Kragujevac, R. Domanovića 12, 34000 Kragujevac, Serbia
4
Faculty of Chemistry and Chemical Technology, University of Ljubljana, Večna pot 113, SI-1000 Ljubljana, Slovenia
5
Department of Science, Institute for Information Technologies Kragujevac, University of Kragujevac, Liceja Knezevine Srbije 1A, 34000 Kragujevac, Serbia
*
Authors to whom correspondence should be addressed.
Pharmaceutics 2026, 18(2), 169; https://doi.org/10.3390/pharmaceutics18020169
Submission received: 29 December 2025 / Revised: 21 January 2026 / Accepted: 23 January 2026 / Published: 27 January 2026
(This article belongs to the Special Issue Metal Complexes as Antimicrobial Agents: Pharmacokinetics and Drug Development Implications)
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Abstract

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(NO3)(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(NO3)(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.
Keywords: N-substituted quinoxaline-2-carboxamides; silver(I) complexes; antimycobacterial activity; DNA interaction; protein interaction N-substituted quinoxaline-2-carboxamides; silver(I) complexes; antimycobacterial activity; DNA interaction; protein interaction
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MDPI and ACS Style

Bouz, G.; Stevanović, N.L.; Počkaj, M.; Andrejević, T.P.; Turel, I.; Jand’ourek, O.; Konečná, K.; Milanović, Ž.; Milisavljević, K.; Glišić, B.Đ. Polynuclear Silver(I)–Quinoxaline Complex: Comprehensive Structural Characterization, Antimycobacterial Properties and DNA/BSA Binding Study. Pharmaceutics 2026, 18, 169. https://doi.org/10.3390/pharmaceutics18020169

AMA Style

Bouz G, Stevanović NL, Počkaj M, Andrejević TP, Turel I, Jand’ourek O, Konečná K, Milanović Ž, Milisavljević K, Glišić BĐ. Polynuclear Silver(I)–Quinoxaline Complex: Comprehensive Structural Characterization, Antimycobacterial Properties and DNA/BSA Binding Study. Pharmaceutics. 2026; 18(2):169. https://doi.org/10.3390/pharmaceutics18020169

Chicago/Turabian Style

Bouz, Ghada, Nevena L. Stevanović, Marta Počkaj, Tina P. Andrejević, Iztok Turel, Ondřej Jand’ourek, Klára Konečná, Žiko Milanović, Kristina Milisavljević, and Biljana Đ. Glišić. 2026. "Polynuclear Silver(I)–Quinoxaline Complex: Comprehensive Structural Characterization, Antimycobacterial Properties and DNA/BSA Binding Study" Pharmaceutics 18, no. 2: 169. https://doi.org/10.3390/pharmaceutics18020169

APA Style

Bouz, G., Stevanović, N. L., Počkaj, M., Andrejević, T. P., Turel, I., Jand’ourek, O., Konečná, K., Milanović, Ž., Milisavljević, K., & Glišić, B. Đ. (2026). Polynuclear Silver(I)–Quinoxaline Complex: Comprehensive Structural Characterization, Antimycobacterial Properties and DNA/BSA Binding Study. Pharmaceutics, 18(2), 169. https://doi.org/10.3390/pharmaceutics18020169

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