Identification of potential inhibitors for Penicillinbinding protein (PBP) from Staphylococcus aureus

Staphylococcus aureus is an infectious agent that causes severe skin and soft tissue infection in hospitalized patients. Therefore, it is of interest to develop potent inhibitors for S. aureus. Penicillin Binding protein (PBP) is a known drug target for inhibition of cell wall biosynthesis in S. aur...

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Autores principales: Kulanthaivel, Langeswaran, Jeyaraman, Jeyakanthan, Biswas, Abir, Subbaraj, Gowtham Kumar, Santhoshkumar, S
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Biomedical Informatics 2018
Materias:
Hypothesis
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6563657/
https://www.ncbi.nlm.nih.gov/pubmed/31223205
http://dx.doi.org/10.6026/97320630014471
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author Kulanthaivel, Langeswaran
Jeyaraman, Jeyakanthan
Biswas, Abir
Subbaraj, Gowtham Kumar
Santhoshkumar, S
author_facet Kulanthaivel, Langeswaran
Jeyaraman, Jeyakanthan
Biswas, Abir
Subbaraj, Gowtham Kumar
Santhoshkumar, S
author_sort Kulanthaivel, Langeswaran
collection PubMed
description Staphylococcus aureus is an infectious agent that causes severe skin and soft tissue infection in hospitalized patients. Therefore, it is of interest to develop potent inhibitors for S. aureus. Penicillin Binding protein (PBP) is a known drug target for inhibition of cell wall biosynthesis in S. aureus. Hence, PBP was screened with compounds from six databases using virtual screening approaches. Results shows that the screened lead compound produced higher docking score (-9.87 kcal/mol) compared to resistant drugs. Antimicrobial activity using screened lead compounds and resistant drugs showed maximum activity in potential screened compounds compared to resistant compounds.
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spelling pubmed-65636572019-06-20 Identification of potential inhibitors for Penicillinbinding protein (PBP) from Staphylococcus aureus Kulanthaivel, Langeswaran Jeyaraman, Jeyakanthan Biswas, Abir Subbaraj, Gowtham Kumar Santhoshkumar, S Bioinformation Hypothesis Staphylococcus aureus is an infectious agent that causes severe skin and soft tissue infection in hospitalized patients. Therefore, it is of interest to develop potent inhibitors for S. aureus. Penicillin Binding protein (PBP) is a known drug target for inhibition of cell wall biosynthesis in S. aureus. Hence, PBP was screened with compounds from six databases using virtual screening approaches. Results shows that the screened lead compound produced higher docking score (-9.87 kcal/mol) compared to resistant drugs. Antimicrobial activity using screened lead compounds and resistant drugs showed maximum activity in potential screened compounds compared to resistant compounds. Biomedical Informatics 2018-11-02 /pmc/articles/PMC6563657/ /pubmed/31223205 http://dx.doi.org/10.6026/97320630014471 Text en © 2018 Biomedical Informatics http://creativecommons.org/licenses/by/3.0/ This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.
spellingShingle Hypothesis
Kulanthaivel, Langeswaran
Jeyaraman, Jeyakanthan
Biswas, Abir
Subbaraj, Gowtham Kumar
Santhoshkumar, S
Identification of potential inhibitors for Penicillinbinding protein (PBP) from Staphylococcus aureus
title Identification of potential inhibitors for Penicillinbinding protein (PBP) from Staphylococcus aureus
title_full Identification of potential inhibitors for Penicillinbinding protein (PBP) from Staphylococcus aureus
title_fullStr Identification of potential inhibitors for Penicillinbinding protein (PBP) from Staphylococcus aureus
title_full_unstemmed Identification of potential inhibitors for Penicillinbinding protein (PBP) from Staphylococcus aureus
title_short Identification of potential inhibitors for Penicillinbinding protein (PBP) from Staphylococcus aureus
title_sort identification of potential inhibitors for penicillinbinding protein (pbp) from staphylococcus aureus
topic Hypothesis
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6563657/
https://www.ncbi.nlm.nih.gov/pubmed/31223205
http://dx.doi.org/10.6026/97320630014471
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AT subbarajgowthamkumar identificationofpotentialinhibitorsforpenicillinbindingproteinpbpfromstaphylococcusaureus
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