Cargando…

In silico Prediction of New Drug Candidates Against the Multidrug-Resistant and Potentially Zoonotic Fish Pathogen Serotype III Streptococcus agalactiae

Streptococcus agalactiae is an invasive multi-host pathogen that causes invasive diseases mainly in newborns, elderly, and individuals with underlying health complications. In fish, S. agalactiae causes streptococcosis, which is characterized by septicemia and neurological signs, and leads to great...

Descripción completa

Detalles Bibliográficos
Autores principales: Favero, Leonardo Mantovani, Chideroli, Roberta Torres, Ferrari, Natália Amoroso, Azevedo, Vasco Ariston De Carvalho, Tiwari, Sandeep, Lopera-Barrero, Nelson Mauricio, Pereira, Ulisses de Pádua
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7484375/
https://www.ncbi.nlm.nih.gov/pubmed/33005185
http://dx.doi.org/10.3389/fgene.2020.01024
_version_ 1783580981973745664
author Favero, Leonardo Mantovani
Chideroli, Roberta Torres
Ferrari, Natália Amoroso
Azevedo, Vasco Ariston De Carvalho
Tiwari, Sandeep
Lopera-Barrero, Nelson Mauricio
Pereira, Ulisses de Pádua
author_facet Favero, Leonardo Mantovani
Chideroli, Roberta Torres
Ferrari, Natália Amoroso
Azevedo, Vasco Ariston De Carvalho
Tiwari, Sandeep
Lopera-Barrero, Nelson Mauricio
Pereira, Ulisses de Pádua
author_sort Favero, Leonardo Mantovani
collection PubMed
description Streptococcus agalactiae is an invasive multi-host pathogen that causes invasive diseases mainly in newborns, elderly, and individuals with underlying health complications. In fish, S. agalactiae causes streptococcosis, which is characterized by septicemia and neurological signs, and leads to great economic losses to the fish farming industry worldwide. These bacteria can be classified into different serotypes based on capsular antigens, and into different sequence types (ST) based on multilocus sequence typing (MLST). In 2015, serotype III ST283 was identified to be associated with a foodborne invasive disease in non-pregnant immunocompetent humans in Singapore, and the infection was related to raw fish consumption. In addition, a serotype III strain isolated from tilapia in Brazil has been reported to be resistant to five antibiotic classes. This specific serotype can serve as a reservoir of resistance genes and pose a serious threat to public health. Thus, new approaches for the control and treatment of S. agalactiae infections are needed. In the present study, 24 S. agalactiae serotype III complete genomes, isolated from human and fish hosts, were compared. The core genome was identified, and, using bioinformatics tools and subtractive criteria, five proteins were identified as potential drug targets. Furthermore, 5,008 drug-like natural compounds were virtually screened against the identified targets. The ligands with the best binding properties are suggested for further in vitro and in vivo analysis.
format Online
Article
Text
id pubmed-7484375
institution National Center for Biotechnology Information
language English
publishDate 2020
publisher Frontiers Media S.A.
record_format MEDLINE/PubMed
spelling pubmed-74843752020-09-30 In silico Prediction of New Drug Candidates Against the Multidrug-Resistant and Potentially Zoonotic Fish Pathogen Serotype III Streptococcus agalactiae Favero, Leonardo Mantovani Chideroli, Roberta Torres Ferrari, Natália Amoroso Azevedo, Vasco Ariston De Carvalho Tiwari, Sandeep Lopera-Barrero, Nelson Mauricio Pereira, Ulisses de Pádua Front Genet Genetics Streptococcus agalactiae is an invasive multi-host pathogen that causes invasive diseases mainly in newborns, elderly, and individuals with underlying health complications. In fish, S. agalactiae causes streptococcosis, which is characterized by septicemia and neurological signs, and leads to great economic losses to the fish farming industry worldwide. These bacteria can be classified into different serotypes based on capsular antigens, and into different sequence types (ST) based on multilocus sequence typing (MLST). In 2015, serotype III ST283 was identified to be associated with a foodborne invasive disease in non-pregnant immunocompetent humans in Singapore, and the infection was related to raw fish consumption. In addition, a serotype III strain isolated from tilapia in Brazil has been reported to be resistant to five antibiotic classes. This specific serotype can serve as a reservoir of resistance genes and pose a serious threat to public health. Thus, new approaches for the control and treatment of S. agalactiae infections are needed. In the present study, 24 S. agalactiae serotype III complete genomes, isolated from human and fish hosts, were compared. The core genome was identified, and, using bioinformatics tools and subtractive criteria, five proteins were identified as potential drug targets. Furthermore, 5,008 drug-like natural compounds were virtually screened against the identified targets. The ligands with the best binding properties are suggested for further in vitro and in vivo analysis. Frontiers Media S.A. 2020-08-28 /pmc/articles/PMC7484375/ /pubmed/33005185 http://dx.doi.org/10.3389/fgene.2020.01024 Text en Copyright © 2020 Favero, Chideroli, Ferrari, Azevedo, Tiwari, Lopera-Barrero and Pereira. http://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
Favero, Leonardo Mantovani
Chideroli, Roberta Torres
Ferrari, Natália Amoroso
Azevedo, Vasco Ariston De Carvalho
Tiwari, Sandeep
Lopera-Barrero, Nelson Mauricio
Pereira, Ulisses de Pádua
In silico Prediction of New Drug Candidates Against the Multidrug-Resistant and Potentially Zoonotic Fish Pathogen Serotype III Streptococcus agalactiae
title In silico Prediction of New Drug Candidates Against the Multidrug-Resistant and Potentially Zoonotic Fish Pathogen Serotype III Streptococcus agalactiae
title_full In silico Prediction of New Drug Candidates Against the Multidrug-Resistant and Potentially Zoonotic Fish Pathogen Serotype III Streptococcus agalactiae
title_fullStr In silico Prediction of New Drug Candidates Against the Multidrug-Resistant and Potentially Zoonotic Fish Pathogen Serotype III Streptococcus agalactiae
title_full_unstemmed In silico Prediction of New Drug Candidates Against the Multidrug-Resistant and Potentially Zoonotic Fish Pathogen Serotype III Streptococcus agalactiae
title_short In silico Prediction of New Drug Candidates Against the Multidrug-Resistant and Potentially Zoonotic Fish Pathogen Serotype III Streptococcus agalactiae
title_sort in silico prediction of new drug candidates against the multidrug-resistant and potentially zoonotic fish pathogen serotype iii streptococcus agalactiae
topic Genetics
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7484375/
https://www.ncbi.nlm.nih.gov/pubmed/33005185
http://dx.doi.org/10.3389/fgene.2020.01024
work_keys_str_mv AT faveroleonardomantovani insilicopredictionofnewdrugcandidatesagainstthemultidrugresistantandpotentiallyzoonoticfishpathogenserotypeiiistreptococcusagalactiae
AT chiderolirobertatorres insilicopredictionofnewdrugcandidatesagainstthemultidrugresistantandpotentiallyzoonoticfishpathogenserotypeiiistreptococcusagalactiae
AT ferrarinataliaamoroso insilicopredictionofnewdrugcandidatesagainstthemultidrugresistantandpotentiallyzoonoticfishpathogenserotypeiiistreptococcusagalactiae
AT azevedovascoaristondecarvalho insilicopredictionofnewdrugcandidatesagainstthemultidrugresistantandpotentiallyzoonoticfishpathogenserotypeiiistreptococcusagalactiae
AT tiwarisandeep insilicopredictionofnewdrugcandidatesagainstthemultidrugresistantandpotentiallyzoonoticfishpathogenserotypeiiistreptococcusagalactiae
AT loperabarreronelsonmauricio insilicopredictionofnewdrugcandidatesagainstthemultidrugresistantandpotentiallyzoonoticfishpathogenserotypeiiistreptococcusagalactiae
AT pereiraulissesdepadua insilicopredictionofnewdrugcandidatesagainstthemultidrugresistantandpotentiallyzoonoticfishpathogenserotypeiiistreptococcusagalactiae