Antibacterial, Docking, DFT and ADMET Properties Evaluation of Chalcone-Sulfonamide Derivatives Prepared Using ZnO Nanoparticle Catalysis.

Introduction: In the present work, two novel compounds were synthesized using zinc oxide nanoparticles through green synthesis protocol. The zinc oxide nanoparticles catalyzed reactions were afforded good to excellent yields of the target compounds 76.3-98.6%.

Methodology: The synthesized compounds were characterized by UV-Vis, IR and NMR. The antibacterial activity of the synthesized compounds was screened against two Gram-positive bacteria ( and ) and two Gram-negative bacteria ( and ).

Results And Discussion: The synthesized compounds displayed potent activity against the bacterial strains. Among them, compound showed strong activity against relative to the standard drug. On the other hand, compound exhibited strong activity against . The molecular docking study of the synthesized compounds was conducted to investigate their binding pattern with DNA gyrase and dihydropteroate synthase and all of them were found to have minimum binding energy ranging from -6.0 to -7.3 kcal/mol, and the best result achieved with compound and .

Conclusion: The findings of the in vitro antibacterial and molecular docking analysis demonstrated that the synthesized compounds have potential of antibacterial activity and can be further optimized to serve as a lead compound.