Synthesis, characterization, biological, and molecular docking assessment of bioactive 1,3-thiazolidin-4-ones fused with 1-(pyrimidin-2-yl)-1H-imidazol-4-yl) moieties

A series of fifteen computationally bioactive 1,3-thiazolidin-4-ones fused with 1-(pyrimidin-2-yl)-1H-imidazol-4-yl moieties (1-15) were synthetically prepared and assessed for antimicrobial potential against the four strains (two gram-positive and two gram-negative). The structures were supported by spectroscopic methods like FT-IR, NMR (H-1 & C-13), mass spectroscopy, etc. The antimicrobial efficacy of the prepared compounds was achieved by the method of disk diffusion, and the effects were recorded in terms of zone of inhibition and minimum inhibitory concentration. Dimethyl sulfoxide and ciprofloxacin were used as negative and positive controls. The results stated that two compounds (7 and 10) were reported to exhibit better antimicrobial activity than the standard drug ciprofloxacin, while the other members represented considerable potential. Molecular docking was also performed to support the in vitro antimicrobial results, to understand the extent of H-bonding and the binding affinities of the compounds (1-15), with the amino acid residues of the receptor GlcN-6P and, represented significant H-bonding. An MTT assay was also carried out to see the toxic effects of the prepared compounds and posed that the compounds were less toxic toward the HepG2 cells. [GRAPHICS] .

Automated summary

A series of novel compounds with antimicrobial potential were synthesized and structurally characterized using various spectroscopic methods in this study. Two compounds exhibited better antimicrobial activity than the standard drug, while the other members showed considerable potential. Molecular docking results indicated strong hydrogen bonding capabilities of these compounds.