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Proteomics and Docking Study Targeting Penicillin-Binding Protein and Penicillin-Binding Protein2a of Methicillin-Resistant Staphylococcus aureus Strain SO-1977 Isolated from Sudan
Whole genome sequencing of methicillin-resistant Staphylococcus aureus (MRSA) strain isolated from Sudan has led to a great deal of information, which allows the identification and characterization of some pivotal proteins. The objective of this study was to investigate the penicillin-binding protei...
Autores principales: | , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
SAGE Publications
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6637844/ https://www.ncbi.nlm.nih.gov/pubmed/31360059 http://dx.doi.org/10.1177/1176934319864945 |
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author | Mohamed, Sofia B Adlan, Talal A Khalafalla, Nagla A Abdalla, Nusiba I Ali, Zainab SA Munir KA, Abdella Hassan, Mohamed M Elnour, Mohammed-Ahmed B |
author_facet | Mohamed, Sofia B Adlan, Talal A Khalafalla, Nagla A Abdalla, Nusiba I Ali, Zainab SA Munir KA, Abdella Hassan, Mohamed M Elnour, Mohammed-Ahmed B |
author_sort | Mohamed, Sofia B |
collection | PubMed |
description | Whole genome sequencing of methicillin-resistant Staphylococcus aureus (MRSA) strain isolated from Sudan has led to a great deal of information, which allows the identification and characterization of some pivotal proteins. The objective of this study was to investigate the penicillin-binding proteins, PBP and PBP2a, of SO-1977 strain to have insights about their physicochemical properties and to assess and describe the interaction of some phytochemicals against them in silico. PBP and PBP2a from MRSA’s Sudan strain were found to be of great resemblance with some other strains. G246E single-nucleotide polymorphism was reported and identified in the allosteric binding site positioned in the non-penicillin-binding domain. The docked compounds demonstrated good binding energies and hydrogen bond interactions with residue Ser404 which plays crucial roles in β-lactam activity. This finding would contribute significantly to designing effective β-lactam drugs, to combat and treat β-lactam–resistant bacteria in the future. |
format | Online Article Text |
id | pubmed-6637844 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | SAGE Publications |
record_format | MEDLINE/PubMed |
spelling | pubmed-66378442019-07-29 Proteomics and Docking Study Targeting Penicillin-Binding Protein and Penicillin-Binding Protein2a of Methicillin-Resistant Staphylococcus aureus Strain SO-1977 Isolated from Sudan Mohamed, Sofia B Adlan, Talal A Khalafalla, Nagla A Abdalla, Nusiba I Ali, Zainab SA Munir KA, Abdella Hassan, Mohamed M Elnour, Mohammed-Ahmed B Evol Bioinform Online Computational Bioinformatics Tools for Evolutionary Genomics Whole genome sequencing of methicillin-resistant Staphylococcus aureus (MRSA) strain isolated from Sudan has led to a great deal of information, which allows the identification and characterization of some pivotal proteins. The objective of this study was to investigate the penicillin-binding proteins, PBP and PBP2a, of SO-1977 strain to have insights about their physicochemical properties and to assess and describe the interaction of some phytochemicals against them in silico. PBP and PBP2a from MRSA’s Sudan strain were found to be of great resemblance with some other strains. G246E single-nucleotide polymorphism was reported and identified in the allosteric binding site positioned in the non-penicillin-binding domain. The docked compounds demonstrated good binding energies and hydrogen bond interactions with residue Ser404 which plays crucial roles in β-lactam activity. This finding would contribute significantly to designing effective β-lactam drugs, to combat and treat β-lactam–resistant bacteria in the future. SAGE Publications 2019-07-16 /pmc/articles/PMC6637844/ /pubmed/31360059 http://dx.doi.org/10.1177/1176934319864945 Text en © The Author(s) 2019 http://www.creativecommons.org/licenses/by-nc/4.0/ This article is distributed under the terms of the Creative Commons Attribution-NonCommercial 4.0 License (http://www.creativecommons.org/licenses/by-nc/4.0/) which permits non-commercial use, reproduction and distribution of the work without further permission provided the original work is attributed as specified on the SAGE and Open Access pages (https://us.sagepub.com/en-us/nam/open-access-at-sage). |
spellingShingle | Computational Bioinformatics Tools for Evolutionary Genomics Mohamed, Sofia B Adlan, Talal A Khalafalla, Nagla A Abdalla, Nusiba I Ali, Zainab SA Munir KA, Abdella Hassan, Mohamed M Elnour, Mohammed-Ahmed B Proteomics and Docking Study Targeting Penicillin-Binding Protein and Penicillin-Binding Protein2a of Methicillin-Resistant Staphylococcus aureus Strain SO-1977 Isolated from Sudan |
title | Proteomics and Docking Study Targeting Penicillin-Binding Protein and Penicillin-Binding Protein2a of Methicillin-Resistant Staphylococcus aureus Strain SO-1977 Isolated from Sudan |
title_full | Proteomics and Docking Study Targeting Penicillin-Binding Protein and Penicillin-Binding Protein2a of Methicillin-Resistant Staphylococcus aureus Strain SO-1977 Isolated from Sudan |
title_fullStr | Proteomics and Docking Study Targeting Penicillin-Binding Protein and Penicillin-Binding Protein2a of Methicillin-Resistant Staphylococcus aureus Strain SO-1977 Isolated from Sudan |
title_full_unstemmed | Proteomics and Docking Study Targeting Penicillin-Binding Protein and Penicillin-Binding Protein2a of Methicillin-Resistant Staphylococcus aureus Strain SO-1977 Isolated from Sudan |
title_short | Proteomics and Docking Study Targeting Penicillin-Binding Protein and Penicillin-Binding Protein2a of Methicillin-Resistant Staphylococcus aureus Strain SO-1977 Isolated from Sudan |
title_sort | proteomics and docking study targeting penicillin-binding protein and penicillin-binding protein2a of methicillin-resistant staphylococcus aureus strain so-1977 isolated from sudan |
topic | Computational Bioinformatics Tools for Evolutionary Genomics |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6637844/ https://www.ncbi.nlm.nih.gov/pubmed/31360059 http://dx.doi.org/10.1177/1176934319864945 |
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