Non-<i>β</i>-Lactam Allosteric Inhibitors Target Methicillin-Resistant <i>Staphylococcus aureus</i>: An <i>In Silico</i> Drug Discovery Study

Non-<i>β</i>-Lactam Allosteric Inhibitors Target Methicillin-Resistant <i>Staphylococcus aureus</i>: An <i>In Silico</i> Drug Discovery Study

Penicillin-binding proteins (PBPs) catalyze the final stages for peptidoglycan cell-wall bio-synthesis. Mutations in the PBP2a subunit can attenuate <i>β</i>-lactam antibiotic activity, resulting in unimpeded cell-wall formation and methicillin-resistant <i>Staphylococcus aureus<...

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Bibliographic Details
Main Authors: Mahmoud A. A. Ibrahim, Khlood A. A. Abdeljawaad, Alaa H. M. Abdelrahman, Othman R. Alzahrani, Fahad M. Alshabrmi, Esraa Khalaf, Mahmoud F. Moustafa, Faris Alrumaihi, Khaled S. Allemailem, Mahmoud E. S. Soliman, Paul W. Paré, Mohamed-Elamir F. Hegazy, Mohamed A. M. Atia
Format: Article
Language:English
Published: MDPI AG 2021-08-01
Series:Antibiotics
Subjects:
<i>Staphylococcus aureus</i>
PBP2a
<i>MecA</i>
pharmacophore
molecular docking
molecular dynamics simulations
Online Access:https://www.mdpi.com/2079-6382/10/8/934

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