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Pyridine and Benzoisothiazole Decorated Vanillin Chalcones: Synthesis, Antimicrobial, Antioxidant, Molecular Docking Study and ADMET Properties

Author(s):

Pintu Pathare, Sunil Tekale, Rafique Shaikh, Manoj Damale, Jaiprakash Sangshetti, Dhanaji Rajani and Rajendra Pawar*   Pages 1 - 15 ( 15 )

Abstract:


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 human kind.

Objective: The present studies were aimed to 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 diffenet 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 toxicity profile of the compounds using FAFDrugs2 predictor.

Results: 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 process.

Keywords:

Benzoisothiazole, Pyridine, Chalcones, Antimicrobial, Antioxidant, Molecular docking, ADMET

Affiliation:

Department of Chemistry, Deogiri College, Station Road, Aurangabad (MS) 431005, Department of Chemistry, Deogiri College, Station Road, Aurangabad (MS) 431005, Department of Botany, Poona College of Arts, Commerce and Science, Pune (MS) 411 001, Department of Pharmaceutical Chemistry, Shri. Bhagwan College of Pharmacy, Aurangabad (MS) 431 003, Y. B. Chavan College of Pharmacy, Dr. Rafiq Zakaria Campus, Aurangabad (MS) 431 001, Microcare Laboratory and Tubercular Research Centre, Surat (Gujrat) 395 003, Department of Chemistry, Deogiri College, Station Road, Aurangabad (MS) 431005



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