New chalcone derivatives as potential antimicrobial and antioxidant agent

Area of Science:

• Medicinal Chemistry
• Organic Synthesis
• Computational Chemistry

Background:

• Chalcones are a versatile class of compounds with a wide range of biological activities.
• Exploring novel chalcone derivatives is crucial for discovering new antimicrobial and antioxidant agents.
• Structure-activity relationship studies are essential for optimizing the efficacy of drug candidates.

Purpose of the Study:

• To synthesize and characterize novel chalcone derivatives.
• To evaluate the in silico and in vitro antimicrobial and antioxidant activities of these compounds.
• To assess the drug-likeness properties of the synthesized chalcones.

Main Methods:

• Chalcone derivatives were synthesized using Claisen-Schmidt condensation.
• Compound structures were confirmed using spectroscopic techniques (UV-Vis, IR, NMR, Mass Spectrometry).
• In silico molecular docking, in vitro antimicrobial assays (MIC), antioxidant assays (EDTA standard), and SwissADME analysis were performed.

Main Results:

• All synthesized chalcones exhibited antimicrobial activity against Staphylococcus aureus and Bacillus subtilis (MIC 0.4-0.6 mg/mL).
• Compounds 6e and 6g displayed superior binding affinity in molecular docking studies.
• Compounds 6c, 6e, and 6g showed excellent in vitro antioxidant activity, outperforming the EDTA standard, and compound 6e was identified as a lead-like molecule.

Conclusions:

• The synthesized chalcone derivatives possess significant antimicrobial and antioxidant potential.
• Compounds 6e and 6g are promising candidates for further development as therapeutic agents.
• Compound 6e demonstrates favorable drug-like properties, warranting further investigation.