Antibacterial Properties and Computational Insights of Potent Novel Linezolid-Based Oxazolidinones

oleh: M. Shaheer Malik, Shaikh Faazil, Meshari A. Alsharif, Qazi Mohammad Sajid Jamal, Jabir H. Al-Fahemi, Amrita Banerjee, Arpita Chattopadhyay, Samir Kumar Pal, Ahmed Kamal, Saleh A. Ahmed

Format: Article
Diterbitkan: MDPI AG 2023-03-01

Deskripsi

The mounting evidence of bacterial resistance against commonly prescribed antibiotics warrants the development of new antibacterial drugs on an urgent basis. Linezolid, an oxazolidinone antibiotic, is a lead molecule in designing new oxazolidinones as antibacterial agents. In this study, we report the antibacterial potential of the novel oxazolidinone-sulphonamide/amide conjugates that were recently reported by our research group. The antibacterial assays showed that, from the series, oxazolidinones <b>2</b> and <b>3a</b> exhibited excellent potency (MIC of 1.17 μg/mL) against <i>B. subtilis</i> and <i>P. aeruginosa</i> strains, along with good antibiofilm activity. Docking studies revealed higher binding affinities of oxazolidinones <b>2</b> and <b>3a</b> compared to linezolid, which were further validated by molecular dynamics simulations. In addition to this, other computational studies, one-descriptor (log <i>P</i>) analysis, ADME-T and drug likeness studies demonstrated the potential of these novel linezolid-based oxazolidinones to be taken forward for further studies.