Silver(I) complexes of 5,5-diethylbarbiturate and polypyridyl ligands: Structural, antimicrobial and molecular docking studies


İçsel Yılmaz C., Saeed K. H., Reis A., Aygün M., Yılmaz V. T.

INORGANICA CHIMICA ACTA, vol.597, 2026 (SCI-Expanded, Scopus) identifier

  • Publication Type: Article / Article
  • Volume: 597
  • Publication Date: 2026
  • Doi Number: 10.1016/j.ica.2026.123179
  • Journal Name: INORGANICA CHIMICA ACTA
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Chemical Abstracts Core, Chimica, Compendex
  • Karadeniz Technical University Affiliated: Yes

Abstract

A number of new silver(I) 5,5-diethylbarbiturate (barb) complexes bearing some polypyridyl ligands, namely [Ag (barb)(dpya)] (1), [Ag(barb)(Bphen)] (2), [Ag(barb)(terpy)] (3), [Ag(barb)(Phterpy)]& sdot;H2O (4) and [Ag(barb) (tpma)] (5), where dpya = 2,2 '-dipyridylamine, Bphen = Bathophenanthroline, terpy = 2,2 ':6 ',2 ''-terpyridine, Phterpy = 4 '-phenyl-2,2 ':6 ',2 ''-terpyridine and tpma = tris(2-pyridylmethyl)amine, were synthesized and structurally characterized by various spectroscopic methods and X-ray crystallography. The complexes were screened against Gram-negative (A. haemolyticus ATCC 19002, E. coli ATCC 25922, K. pneumoniae ATCC 13883, and P. aeruginosa ATCC 27853) and Gram-positive (B. cereus RSKK 709 (ROMA), B. subtilis ATCC 6633, E. faecalis ATCC 29212, and S. aureus ATCC 25923) bacterial and fungal (C. albicans ATCC 10231) pathogens in comparison to AgNO3, silver sulfadiazine (AgSDZ) and common antibiotics. In general, the complexes showed moderate-tohigh antimicrobial activity with minimum inhibitory concentrations (MICs) ranging from 5 to 54.1 mu M. Notably, complex 2 exhibited specific selectivity toward Gram-positive bacteria, while 3 demonstrated significantly high activity in the Gram-negative bacterium P. aeruginosa. A remarkably antifungal activity was observed for complexes 3-5. Molecular docking calculations were performed to asses the binding ability of the potent complexes 2 and 3 with the target DNA gyrase enzymes of S. aureus and P. aeruginosa, respectively.