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Vol. 36 No. 10 (2024): Vol 36 Issue 10, 2024

Copyright (c) 2024 Mr Sangappa Teli

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Design, Synthesis, Molecular Docking Studies and Antimicrobial Profiling of 7-Nitroquinazoline Derivatives against Staphylococcus aureus (MRSA)

https://doi.org/10.14233/ajchem.2024.32452
Vishwanath Halappanavar
Department of Pharmaceutical Chemistry, BLDEA’s S.S.M. College of Pharmacy and Research Centre, Vijaypura-586103, India
https://orcid.org/0009-0003-0624-4102
Sangappa Teli
Department of Pharmaceutical Chemistry, BLDEA’s S.S.M. College of Pharmacy and Research Centre, Vijaypura-586103, India
https://orcid.org/0000-0002-6103-4197
Dharyappa Teli
Department of Pharmaceutical Chemistry, BLDEA’s S.S.M. College of Pharmacy and Research Centre, Vijaypura-586103, India
https://orcid.org/0009-0006-9243-4595
Sammed P. Melavanki
Department of Pharmaceutical Chemistry, BVVS Hanagal Shri Kumareshwar College of Pharmacy, Bagalkot-587101, India
https://orcid.org/0009-0002-0951-2953

Corresponding Author(s) : Sangappa Teli

telisangappa16@gmail.com

Asian Journal of Chemistry, Vol. 36 No. 10 (2024): Vol 36 Issue 10, 2024

Abstract

The alarming increase in antibiotic resistance contributes to the growing risk posed by Staphylococcus aureus (MRSA) in the worldwide healthcare sector. To address the challenge, this study designed, synthesized and evaluated novel quinazoline derivatives, specifically 7-nitroquinazolines, for their antimicrobial efficacy against Staphylococcus aureus (MRSA). Molecular docking studies revealed that compounds 8a and 8b exhibited superior binding affinity to the protein 1T2W, with binding energies of -9.6 kcal/mol and -8.8 kcal/mol, surpassing ciprofloxacin. The derivatives demonstrated favourable pharmacokinetic properties, including moderate lipophilicity, optimal polarity and good water solubility. Compound 8b shows a potent minimum inhibitory concentration (MIC) of 31.1 µg/mL against S. aureus (MRSA ATCC6538), outperforming ciprofloxacin. These findings indicate that compound 8b and related derivatives hold promise as novel therapeutic agents against MRSA, warranting further research to combat the growing issue of antibiotic resistance.

Keywords

7-Nitro-quinazoline derivatives Docking ADME Antimicrobial activity
Halappanavar, V., Teli, S., Teli, D., & Melavanki, S. P. (2024). Design, Synthesis, Molecular Docking Studies and Antimicrobial Profiling of 7-Nitroquinazoline Derivatives against Staphylococcus aureus (MRSA). Asian Journal of Chemistry, 36(10), 2416–2422. https://doi.org/10.14233/ajchem.2024.32452
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