Cargando…

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...

Descripción completa

Detalles Bibliográficos
Autores principales: 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
Formato: Online Artículo Texto
Lenguaje:English
Publicado: SAGE Publications 2019
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
_version_ 1783436323959341056
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
work_keys_str_mv AT mohamedsofiab proteomicsanddockingstudytargetingpenicillinbindingproteinandpenicillinbindingprotein2aofmethicillinresistantstaphylococcusaureusstrainso1977isolatedfromsudan
AT adlantalala proteomicsanddockingstudytargetingpenicillinbindingproteinandpenicillinbindingprotein2aofmethicillinresistantstaphylococcusaureusstrainso1977isolatedfromsudan
AT khalafallanaglaa proteomicsanddockingstudytargetingpenicillinbindingproteinandpenicillinbindingprotein2aofmethicillinresistantstaphylococcusaureusstrainso1977isolatedfromsudan
AT abdallanusibai proteomicsanddockingstudytargetingpenicillinbindingproteinandpenicillinbindingprotein2aofmethicillinresistantstaphylococcusaureusstrainso1977isolatedfromsudan
AT alizainabsa proteomicsanddockingstudytargetingpenicillinbindingproteinandpenicillinbindingprotein2aofmethicillinresistantstaphylococcusaureusstrainso1977isolatedfromsudan
AT munirkaabdella proteomicsanddockingstudytargetingpenicillinbindingproteinandpenicillinbindingprotein2aofmethicillinresistantstaphylococcusaureusstrainso1977isolatedfromsudan
AT hassanmohamedm proteomicsanddockingstudytargetingpenicillinbindingproteinandpenicillinbindingprotein2aofmethicillinresistantstaphylococcusaureusstrainso1977isolatedfromsudan
AT elnourmohammedahmedb proteomicsanddockingstudytargetingpenicillinbindingproteinandpenicillinbindingprotein2aofmethicillinresistantstaphylococcusaureusstrainso1977isolatedfromsudan