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Genome-Based Drug Target Identification in Human Pathogen Streptococcus gallolyticus

Streptococcus gallolysticus (Sg) is an opportunistic Gram-positive, non-motile bacterium, which causes infective endocarditis, an inflammation of the inner lining of the heart. As Sg has acquired resistance with the available antibiotics, therefore, there is a dire need to find new therapeutic targe...

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Autores principales: Qureshi, Nosheen Afzal, Bakhtiar, Syeda Marriam, Faheem, Muhammad, Shah, Mohibullah, Bari, Ahmed, Mahmood, Hafiz M., Sohaib, Muhammad, Mothana, Ramzi A., Ullah, Riaz, Jamal, Syed Babar
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8027347/
https://www.ncbi.nlm.nih.gov/pubmed/33841489
http://dx.doi.org/10.3389/fgene.2021.564056
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author Qureshi, Nosheen Afzal
Bakhtiar, Syeda Marriam
Faheem, Muhammad
Shah, Mohibullah
Bari, Ahmed
Mahmood, Hafiz M.
Sohaib, Muhammad
Mothana, Ramzi A.
Ullah, Riaz
Jamal, Syed Babar
author_facet Qureshi, Nosheen Afzal
Bakhtiar, Syeda Marriam
Faheem, Muhammad
Shah, Mohibullah
Bari, Ahmed
Mahmood, Hafiz M.
Sohaib, Muhammad
Mothana, Ramzi A.
Ullah, Riaz
Jamal, Syed Babar
author_sort Qureshi, Nosheen Afzal
collection PubMed
description Streptococcus gallolysticus (Sg) is an opportunistic Gram-positive, non-motile bacterium, which causes infective endocarditis, an inflammation of the inner lining of the heart. As Sg has acquired resistance with the available antibiotics, therefore, there is a dire need to find new therapeutic targets and potent drugs to prevent and treat this disease. In the current study, an in silico approach is utilized to link genomic data of Sg species with its proteome to identify putative therapeutic targets. A total of 1,138 core proteins have been identified using pan genomic approach. Further, using subtractive proteomic analysis, a set of 18 proteins, essential for bacteria and non-homologous to host (human), is identified. Out of these 18 proteins, 12 cytoplasmic proteins were selected as potential drug targets. These selected proteins were subjected to molecular docking against drug-like compounds retrieved from ZINC database. Furthermore, the top docked compounds with lower binding energy were identified. In this work, we have identified novel drug and vaccine targets against Sg, of which some have already been reported and validated in other species. Owing to the experimental validation, we believe our methodology and result are significant contribution for drug/vaccine target identification against Sg-caused infective endocarditis.
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spelling pubmed-80273472021-04-09 Genome-Based Drug Target Identification in Human Pathogen Streptococcus gallolyticus Qureshi, Nosheen Afzal Bakhtiar, Syeda Marriam Faheem, Muhammad Shah, Mohibullah Bari, Ahmed Mahmood, Hafiz M. Sohaib, Muhammad Mothana, Ramzi A. Ullah, Riaz Jamal, Syed Babar Front Genet Genetics Streptococcus gallolysticus (Sg) is an opportunistic Gram-positive, non-motile bacterium, which causes infective endocarditis, an inflammation of the inner lining of the heart. As Sg has acquired resistance with the available antibiotics, therefore, there is a dire need to find new therapeutic targets and potent drugs to prevent and treat this disease. In the current study, an in silico approach is utilized to link genomic data of Sg species with its proteome to identify putative therapeutic targets. A total of 1,138 core proteins have been identified using pan genomic approach. Further, using subtractive proteomic analysis, a set of 18 proteins, essential for bacteria and non-homologous to host (human), is identified. Out of these 18 proteins, 12 cytoplasmic proteins were selected as potential drug targets. These selected proteins were subjected to molecular docking against drug-like compounds retrieved from ZINC database. Furthermore, the top docked compounds with lower binding energy were identified. In this work, we have identified novel drug and vaccine targets against Sg, of which some have already been reported and validated in other species. Owing to the experimental validation, we believe our methodology and result are significant contribution for drug/vaccine target identification against Sg-caused infective endocarditis. Frontiers Media S.A. 2021-03-25 /pmc/articles/PMC8027347/ /pubmed/33841489 http://dx.doi.org/10.3389/fgene.2021.564056 Text en Copyright © 2021 Qureshi, Bakhtiar, Faheem, Shah, Bari, Mahmood, Sohaib, Mothana, Ullah and Jamal. https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.
spellingShingle Genetics
Qureshi, Nosheen Afzal
Bakhtiar, Syeda Marriam
Faheem, Muhammad
Shah, Mohibullah
Bari, Ahmed
Mahmood, Hafiz M.
Sohaib, Muhammad
Mothana, Ramzi A.
Ullah, Riaz
Jamal, Syed Babar
Genome-Based Drug Target Identification in Human Pathogen Streptococcus gallolyticus
title Genome-Based Drug Target Identification in Human Pathogen Streptococcus gallolyticus
title_full Genome-Based Drug Target Identification in Human Pathogen Streptococcus gallolyticus
title_fullStr Genome-Based Drug Target Identification in Human Pathogen Streptococcus gallolyticus
title_full_unstemmed Genome-Based Drug Target Identification in Human Pathogen Streptococcus gallolyticus
title_short Genome-Based Drug Target Identification in Human Pathogen Streptococcus gallolyticus
title_sort genome-based drug target identification in human pathogen streptococcus gallolyticus
topic Genetics
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8027347/
https://www.ncbi.nlm.nih.gov/pubmed/33841489
http://dx.doi.org/10.3389/fgene.2021.564056
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