Abstract::
In this work, we present the synthesis of a newer series of 15 chalcone-based pyrimidine compounds
4a-o. All the compounds were characterized by elemental analysis, melting point determination, mass, FTIR,
and NMR analysis. We have evaluated the antimicrobial activity of these compounds. The compounds showed
good inhibition activity towards different bacterial and fungal species such as S. aureus, S. pneumonia, E. coli,
P. aeruginosa, Candida albicans, Aspergillus niger, and Alternaria alternata. Compounds 4c, 4h, 4k, and 4g
showed comparable activities to those of commercially available drugs. Molecular docking study showed good
interaction between each of the compounds and DNA gyrase enzyme. The docking score of the compounds
ranges between -8.0 to -8.9 kcal/mol. Further, the ADMET analysis indicated the potential of the compounds as
a drug candidate.