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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Public Library of Science
2018
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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. |
format | Online Article Text |
id | pubmed-6312253 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | Public Library of Science |
record_format | MEDLINE/PubMed |
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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