Synthesis, Antibacterial Activity, and Docking Studies of 1,2,3‐triazole‐tagged Thieno[2,3‐d]pyrimidinone Derivatives

Novel (1-(substituted phenyl)-1H-1,2,3-triazol-4-yl)methyl-2-(4-oxo-5,6,7,8-tetrahydrobenzo[1,2]thieno[2,3-d]pyrimidin-3(4H)-yl)acetate derivatives were synthesized. All the compounds showed significant antibacterial activity against Gram-negative (Escherichia coli and Klebsiella pneumonia) and Gram-positive (Bacillus subtilis and Bacillus cereus) bacteria. Particularly, (1-(3-nitrophenyl)-1H-1,2,3-triazol-4-yl) methyl-2-(4-oxo-5,6,7,8-tetrahydrobenzo[1, 2] thieno[2,3-d] pyrimidin-3(4H)-yl) acetate was found to be most potent against E. coli, K. pneumonia, and B. subtilis with MIC 25 mu g/ml. Molecular docking was also performed on purine riboswitch of B. subtilis and thiamine pyrophosphate riboswitch of E. coli.