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

Abstract

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 μg/ml. Molecular docking was also performed on purine riboswitch of B. subtilis and thiamine pyrophosphate riboswitch of E. coli.