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In Silico Molecular Analysis and Docking of Potent Antimicrobial Peptides Against MurE Enzyme of Methicillin Resistant Staphylococcus Aureus

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Abstract

During the last decade there has been an alarming increase in the appearance of antibiotic-resistant bacteria. The drug-resistant microorganisms dubbed superbugs are projected to kill 10 million people a year by 2050. The annual frequency of deaths from Methicillin-resistant Staphylococcus aureus (MRSA) is rapidly increasing and surpassing those caused by human immunodeficiency virus/acquired immune deficiency syndrome (HIV/AIDS). Muramyl ligase E (MurE), an enzyme involved in the peptidoglycan biosynthesis of the bacterial cell wall, is a highly druggable target in MRSA. Six anti Methicillin-resistant Staphylococcus Aureus peptides were selected for deep bioinformatic analysis. The six anti-Methicillin-resistant Staphylococcus Aureus peptides were modeled and then docked to MurE ligase and their binding interactions were studied. The findings suggested that the interactions of three antimicrobial peptides (Flowlicidin-2, Ostricacin-2 and Ostricacin-3) with MurE could be essential for their inhibitory activity.

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Authors and Affiliations

  1. Nutraceuticals and Functional Proteomics Potential of Biodiversity in Tunisia, University of Tunis El Manar, El Manar, Tunisia

    Abdelmajid Zouhir, Taoufik Jridi & Khaled sebei

  2. Laboratory of Microbial Biotechnology, Enzymatic and Biomolecules (LMBEB), Centre of Biotechnology of Sfax, Sfax, Tunisia

    Sonia Jemli

  3. Biology Department, Faculty of Sciences of Sfax, University of Sfax, Sfax, Tunisia

    Sonia Jemli

  4. Laboratory of Selective Organic & Heterocyclic Synthesis Biological Activity Evaluation (LR17ES01), Department of Chemistry, Faculty of Sciences of Tunis, University of Tunis El Manar, 2092, Tunis, Tunisia

    Rania Omrani

  5. Laboratoire de Biochimie et de Biologie Moléculaire - Faculté des Sciences de Bizerte, Université de Carthage, Tunis, Tunisia

    Amani kthiri

Authors
  1. Abdelmajid Zouhir
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  2. Sonia Jemli
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  3. Rania Omrani
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  4. Amani kthiri
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  5. Taoufik Jridi
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  6. Khaled sebei
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Correspondence to Abdelmajid Zouhir.

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Zouhir, A., Jemli, S., Omrani, R. et al. In Silico Molecular Analysis and Docking of Potent Antimicrobial Peptides Against MurE Enzyme of Methicillin Resistant Staphylococcus Aureus. Int J Pept Res Ther 27, 1253–1263 (2021). https://doi.org/10.1007/s10989-021-10165-4

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  • DOI: https://doi.org/10.1007/s10989-021-10165-4

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