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In silico repositioning of approved drugs against Schistosoma mansoni energy metabolism targets

Schistosomiasis is a neglected parasitosis caused by Schistosoma spp. Praziquantel is used for the chemoprophylaxis and treatment of this disease. Although this monotherapy is effective, the risk of resistance and its low efficiency against immature worms compromises its effectiveness. Therefore, it...

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Autores principales: Calixto, Nicole Melo, dos Santos, Daniela Braz, Bezerra, José Clecildo Barreto, Silva, Lourival de Almeida
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6312253/
https://www.ncbi.nlm.nih.gov/pubmed/30596650
http://dx.doi.org/10.1371/journal.pone.0203340
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author Calixto, Nicole Melo
dos Santos, Daniela Braz
Bezerra, José Clecildo Barreto
Silva, Lourival de Almeida
author_facet Calixto, Nicole Melo
dos Santos, Daniela Braz
Bezerra, José Clecildo Barreto
Silva, Lourival de Almeida
author_sort Calixto, Nicole Melo
collection PubMed
description Schistosomiasis is a neglected parasitosis caused by Schistosoma spp. Praziquantel is used for the chemoprophylaxis and treatment of this disease. Although this monotherapy is effective, the risk of resistance and its low efficiency against immature worms compromises its effectiveness. Therefore, it is necessary to develop new schistosomicide drugs. However, the development of new drugs is a long and expensive process. The repositioning of approved drugs has been proposed as a quick, cheap, and effective alternative to solve this problem. This study employs chemogenomic analysis with use of bioinformatics tools to search, identify, and analyze data on approved drugs with the potential to inhibit Schistosoma mansoni energy metabolism enzymes. The TDR Targets Database, Gene DB, Protein, DrugBank, Therapeutic Targets Database (TTD), Promiscuous, and PubMed databases were used. Fifty-nine target proteins were identified, of which 18 had one or more approved drugs. The results identified 20 potential drugs for schistosomiasis treatment; all approved for use in humans.
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spelling pubmed-63122532019-01-08 In silico repositioning of approved drugs against Schistosoma mansoni energy metabolism targets Calixto, Nicole Melo dos Santos, Daniela Braz Bezerra, José Clecildo Barreto Silva, Lourival de Almeida PLoS One Research Article Schistosomiasis is a neglected parasitosis caused by Schistosoma spp. Praziquantel is used for the chemoprophylaxis and treatment of this disease. Although this monotherapy is effective, the risk of resistance and its low efficiency against immature worms compromises its effectiveness. Therefore, it is necessary to develop new schistosomicide drugs. However, the development of new drugs is a long and expensive process. The repositioning of approved drugs has been proposed as a quick, cheap, and effective alternative to solve this problem. This study employs chemogenomic analysis with use of bioinformatics tools to search, identify, and analyze data on approved drugs with the potential to inhibit Schistosoma mansoni energy metabolism enzymes. The TDR Targets Database, Gene DB, Protein, DrugBank, Therapeutic Targets Database (TTD), Promiscuous, and PubMed databases were used. Fifty-nine target proteins were identified, of which 18 had one or more approved drugs. The results identified 20 potential drugs for schistosomiasis treatment; all approved for use in humans. Public Library of Science 2018-12-31 /pmc/articles/PMC6312253/ /pubmed/30596650 http://dx.doi.org/10.1371/journal.pone.0203340 Text en © 2018 Calixto et al http://creativecommons.org/licenses/by/4.0/ This is an open access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0/) , which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.
spellingShingle Research Article
Calixto, Nicole Melo
dos Santos, Daniela Braz
Bezerra, José Clecildo Barreto
Silva, Lourival de Almeida
In silico repositioning of approved drugs against Schistosoma mansoni energy metabolism targets
title In silico repositioning of approved drugs against Schistosoma mansoni energy metabolism targets
title_full In silico repositioning of approved drugs against Schistosoma mansoni energy metabolism targets
title_fullStr In silico repositioning of approved drugs against Schistosoma mansoni energy metabolism targets
title_full_unstemmed In silico repositioning of approved drugs against Schistosoma mansoni energy metabolism targets
title_short In silico repositioning of approved drugs against Schistosoma mansoni energy metabolism targets
title_sort in silico repositioning of approved drugs against schistosoma mansoni energy metabolism targets
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6312253/
https://www.ncbi.nlm.nih.gov/pubmed/30596650
http://dx.doi.org/10.1371/journal.pone.0203340
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