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Antibacterial Properties and Computational Insights of Potent Novel Linezolid-Based Oxazolidinones
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 t...
Autores principales: | , , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10143092/ https://www.ncbi.nlm.nih.gov/pubmed/37111273 http://dx.doi.org/10.3390/ph16040516 |
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author | Malik, M. Shaheer Faazil, Shaikh Alsharif, Meshari A. Sajid Jamal, Qazi Mohammad Al-Fahemi, Jabir H. Banerjee, Amrita Chattopadhyay, Arpita Pal, Samir Kumar Kamal, Ahmed Ahmed, Saleh A. |
author_facet | Malik, M. Shaheer Faazil, Shaikh Alsharif, Meshari A. Sajid Jamal, Qazi Mohammad Al-Fahemi, Jabir H. Banerjee, Amrita Chattopadhyay, Arpita Pal, Samir Kumar Kamal, Ahmed Ahmed, Saleh A. |
author_sort | Malik, M. Shaheer |
collection | PubMed |
description | 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 2 and 3a exhibited excellent potency (MIC of 1.17 μg/mL) against B. subtilis and P. aeruginosa strains, along with good antibiofilm activity. Docking studies revealed higher binding affinities of oxazolidinones 2 and 3a compared to linezolid, which were further validated by molecular dynamics simulations. In addition to this, other computational studies, one-descriptor (log P) analysis, ADME-T and drug likeness studies demonstrated the potential of these novel linezolid-based oxazolidinones to be taken forward for further studies. |
format | Online Article Text |
id | pubmed-10143092 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-101430922023-04-29 Antibacterial Properties and Computational Insights of Potent Novel Linezolid-Based Oxazolidinones Malik, M. Shaheer Faazil, Shaikh Alsharif, Meshari A. Sajid Jamal, Qazi Mohammad Al-Fahemi, Jabir H. Banerjee, Amrita Chattopadhyay, Arpita Pal, Samir Kumar Kamal, Ahmed Ahmed, Saleh A. Pharmaceuticals (Basel) Article 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 2 and 3a exhibited excellent potency (MIC of 1.17 μg/mL) against B. subtilis and P. aeruginosa strains, along with good antibiofilm activity. Docking studies revealed higher binding affinities of oxazolidinones 2 and 3a compared to linezolid, which were further validated by molecular dynamics simulations. In addition to this, other computational studies, one-descriptor (log P) analysis, ADME-T and drug likeness studies demonstrated the potential of these novel linezolid-based oxazolidinones to be taken forward for further studies. MDPI 2023-03-30 /pmc/articles/PMC10143092/ /pubmed/37111273 http://dx.doi.org/10.3390/ph16040516 Text en © 2023 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Malik, M. Shaheer Faazil, Shaikh Alsharif, Meshari A. Sajid Jamal, Qazi Mohammad Al-Fahemi, Jabir H. Banerjee, Amrita Chattopadhyay, Arpita Pal, Samir Kumar Kamal, Ahmed Ahmed, Saleh A. Antibacterial Properties and Computational Insights of Potent Novel Linezolid-Based Oxazolidinones |
title | Antibacterial Properties and Computational Insights of Potent Novel Linezolid-Based Oxazolidinones |
title_full | Antibacterial Properties and Computational Insights of Potent Novel Linezolid-Based Oxazolidinones |
title_fullStr | Antibacterial Properties and Computational Insights of Potent Novel Linezolid-Based Oxazolidinones |
title_full_unstemmed | Antibacterial Properties and Computational Insights of Potent Novel Linezolid-Based Oxazolidinones |
title_short | Antibacterial Properties and Computational Insights of Potent Novel Linezolid-Based Oxazolidinones |
title_sort | antibacterial properties and computational insights of potent novel linezolid-based oxazolidinones |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10143092/ https://www.ncbi.nlm.nih.gov/pubmed/37111273 http://dx.doi.org/10.3390/ph16040516 |
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