New selenourea-based ligands and their Pd(II) complexes as promising antitubercular agents


Emen F. M., Ali M. A., Doğan Ş., Yeşilkaynak T., ÇOBAN A. Y., YILDIRIM K.

Journal of Molecular Structure, cilt.1359, 2026 (SCI-Expanded, Scopus) identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 1359
  • Basım Tarihi: 2026
  • Doi Numarası: 10.1016/j.molstruc.2026.145488
  • Dergi Adı: Journal of Molecular Structure
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Chemical Abstracts Core, Chimica, Compendex, INSPEC
  • Anahtar Kelimeler: Antitubercular activity, Drug resistance, Mycobacterium tuberculosis, Organoselenium compounds, Pd(II) complexes, Selenourea derivatives
  • Akdeniz Üniversitesi Adresli: Evet

Özet

A series of novel benzoylselenourea derivatives, N-((6-methylpyridin-2-yl)carbamoselenoyl)-2-chlorobenzamide (HL1) and N-((3-methylpyridin-2-yl)carbamoselenoyl)-2-chlorobenzamide (HL2), along with their palladium(II) complexes ([PdL12] and [PdL22]), were synthesized and characterized by FT-IR, 1H NMR, and 13C NMR spectroscopy. FT-IR analysis revealed characteristic N–H, C = O, and C=Se stretching vibrations in the free ligands, while complexation led to the disappearance of the carbonyl band and partial delocalization across the Pd–O–C–Se chelate ring. NMR spectroscopic data supported these observations, revealing characteristic shifts in the carbonyl and selenocarbonyl carbon signals, which confirmed the coordination of the ligands through oxygen and selenium donor atoms. The antituberculosis activity of the ligands and complexes was evaluated against multiple Mycobacterium tuberculosis strains using the nitrate reductase assay. The ligands displayed moderate activity, with HL2 showing slightly higher potency than HL1. Despite relatively high MIC values (128–>256 µg/mL), structure–activity relationship analysis indicated that pyridine substitution and Pd(II) coordination influence biological efficacy. These results highlight benzoylselenourea–Pd(II) systems as promising scaffolds for further optimization toward antitubercular agents.