Novel Pyrimidinone Linked 1,2,3-Triazole Scaffolds as Anti-Microbial and Antioxidant Agents: Synthesis, In-vitro and In-silico Studies

The present study states the synthesis of a novel series of pyrimidinone linked 1,2,3-triazole scaffolds by click chemistry method. Further, the synthesized compounds were evaluated for their antimicrobial studies against S. aureus and S. pneumoniae. Among the synthesized compounds, almost all compounds demonstrated significant antimicrobial activity against S. aureus, S. pneumoniae, E.coli and P. aeruginosa, as evident from the zone of inhibition resulted. In addition, synthesised compounds were screened for their antioxidant activity by the 2,2-diphenyl-1-picrylhydrazyl (DPPH) assay method. Furthermore, computational study was performed to understand the interactions between synthesised compounds with dehydrosqualene synthase of Staphylococcus aureus (PDB ID: 2ZCS) and few Compound revealed the highest binding energies ΔG = -9.5, -9.8, and -10.1 Kcal/mol.