Background: The search for new antimicrobial drugs is a never-ending task due to microbial
resistance to the existing drugs. Antioxidants are essential to prevent free radical reactions which lead to chronic
diseases to humankind.
Objective: The present studies were aimed at synthesis, characterization, antimicrobial and antioxidant activities
of pyridine and benzoisothiazole decorated chalcones.
Materials and Methods: FTIR spectra were recorded using KBr pellets on Shimadzu FT-IR spectrophotometer.
1H and 13C NMR spectra were recorded on Bruker 400 MHz spectrometer. Antimicrobial activity of the
synthesized chalcones was found to be good against different bacterial and fungal strains. Antioxidant activity
was studied in terms of 2,2-diphenyl-1-picrylhydrazyl, hydroxyI and superoxide radical scavenging activities.
Molecular docking was studied using Discovery Studio Visualizer Software, version 16 whereas Autodock Vina
program was used to predict the toxicity profile of the compounds using FAFDrugs2 predictor.
Results and Discussion: The compounds 5c, 5d & 6c showed good antioxidant activities. The insilico molecular
docking study supports the experimental results and demonstrated that the chalcones 5d, 6a and 7a are the most
active among the synthesized derivatives.
Conclusion: Prediction of pharmacokinetic parameters and molecular docking studies suggest that the
synthesized chalcones have good pharmacokinetic properties to act as lead molecules in the drug discovery