Synthesis, characterization and molecular docking of benz-imidazolium Se-adducts: Antimicrobial and anticancer studies

Abstract

N-heterocyclic carbene (NHC) based compounds are remarkably known for astonishing biological potentials. Coordination of metal center with these compounds could substantially improve the biological potential for better efficacy. In this context, three binuclear azolium salts (S1–S3) and their selenium adducts (C1–C3) were synthesized and assured through various analytical tools. Compounds C1–C3 were confirmed through ESI-MS and mass spectra were found consistent with theoretical values and structural pattern. Synthesized compounds were simulated through computational approach and results were compared with experimental findings which confirm successful synthesis of designed compounds. Synthesized compounds were screened against bacterial strains and interestingly, the studied compounds showed good antimicrobial having IC50 8.41–21.55 and 11.85–20.84 µM against S.aureus and E.coli respectively. The studied compounds showed good antioxidant activity to scavenge DPPH free radicals among which azolium salts were found better in antioxidant potential (IC50 5.75–6.55 µg/mL) than their respective selenium compounds (IC50 12.55–6.12 µg/mL). Interestingly, selenium compounds showed better cytotoxicity against HEK-293 and HepG2 cell lines than that of azolium salts which confirmed the contributing role of selenium for biological potential of compounds. The haemolytic assay against red blood cells showed that selenium compounds are least toxic and can be further trailed for in vivo studies.