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Drug cocktail selection for the treatment of Chagas disease : a multi-objective approach

Chagas disease is a parasitic disease, endemic in South America. As of today, there is no effective treatment in its chronic stage. We have recently identified 134 FDA approved drugs with potential antitrypanosomal activity. In this paper, we propose a novel method for selecting combinations of drug...

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I tiakina i:
Kaituhi matua: Torres, Mateo (author)
Ētahi atu kaituhi: Cáceres Silva, Juan José (author), Jiménez, Rubén (author), Yubero Rodríguez, Víctor Andrés (author), Vega Gómez, María Celeste (author), Rolón, Miriam Soledad (author), Cernuzzi, Luca Carlo (author), Barán, Benjamín (author), Burgos Edwards, Alberto Javier (author)
Hōputu: article
Reo:Ingarihi
I whakaputaina: 2017
Ngā marau:
6. Producción y tecnología industrial
Multi-objective optimisation
Drug repurposing
Chagas Disease
Genetic Algorithms
FARMACOLOGIA
Urunga tuihono:http://hdl.handle.net/20.500.14066/2831
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author Torres, Mateo
author2 Cáceres Silva, Juan José
Jiménez, Rubén
Yubero Rodríguez, Víctor Andrés
Vega Gómez, María Celeste
Rolón, Miriam Soledad
Cernuzzi, Luca Carlo
Barán, Benjamín
Burgos Edwards, Alberto Javier
author2_role author
author
author
author
author
author
author
author
author_browse Barán, Benjamín
Burgos Edwards, Alberto Javier
Cernuzzi, Luca Carlo
Cáceres Silva, Juan José
Jiménez, Rubén
Rolón, Miriam Soledad
Torres, Mateo
Vega Gómez, María Celeste
Yubero Rodríguez, Víctor Andrés
author_facet Torres, Mateo
Cáceres Silva, Juan José
Jiménez, Rubén
Yubero Rodríguez, Víctor Andrés
Vega Gómez, María Celeste
Rolón, Miriam Soledad
Cernuzzi, Luca Carlo
Barán, Benjamín
Burgos Edwards, Alberto Javier
author_role author
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dc.contributor.other.es.fl_str_mv Universidad Católica Nuestra Señora de la Asunción
dc.creator.none.fl_str_mv Torres, Mateo
Cáceres Silva, Juan José
Jiménez, Rubén
Yubero Rodríguez, Víctor Andrés
Vega Gómez, María Celeste
Rolón, Miriam Soledad
Cernuzzi, Luca Carlo
Barán, Benjamín
Burgos Edwards, Alberto Javier
dc.date.accessioned.none.fl_str_mv 2022-04-06T21:49:05Z
dc.date.available.none.fl_str_mv 2022-04-06T21:49:05Z
dc.date.issued.none.fl_str_mv 2017
dc.identifier.uri.none.fl_str_mv http://hdl.handle.net/20.500.14066/2831
dc.language.iso.es.fl_str_mv eng
dc.relation.projectCONACYT.es.fl_str_mv 14-INV-088
dc.rights.accessRights.es.fl_str_mv info:eu-repo/semantics/openAccess
dc.rights.copyright.es.fl_str_mv © 2017 IEEE
dc.subject.classification.es.fl_str_mv 6. Producción y tecnología industrial
dc.subject.ocde.es.fl_str_mv FARMACOLOGIA
dc.subject.other.es.fl_str_mv Multi-objective optimisation
Drug repurposing
Chagas Disease
Genetic Algorithms
dc.title.es.fl_str_mv Drug cocktail selection for the treatment of Chagas disease : a multi-objective approach
dc.type.es.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
description Chagas disease is a parasitic disease, endemic in South America. As of today, there is no effective treatment in its chronic stage. We have recently identified 134 FDA approved drugs with potential antitrypanosomal activity. In this paper, we propose a novel method for selecting combinations of drugs (drug cocktails), to provide a more effective treatment against Chagas disease. We define three measures to evaluate the predicted performance of a cocktail, establishing in this way a mathematical foundation for its analysis. This allows us to model the drug cocktail selection as a multiobjective optimisation problem, that we show can be solved efficiently with state-of-the-art evolutionary algorithms. Our analysis retrieves 57 drug cocktails containing between 2 and 6 drugs. We discuss the improvement of the cocktail selection given by our method, and the application of this approach to the identification of cocktails against other parasitic diseases.
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publishDate 2017
publishDateSort 2017
repository.mail.fl_str_mv repositorio.institucional@conacyt.gov.py
repository.name.fl_str_mv Repositorio Institucional CONACYT
repository_id_str
rights_invalid_str_mv © 2017 IEEE
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This allows us to model the drug cocktail selection as a multiobjective optimisation problem, that we show can be solved efficiently with state-of-the-art evolutionary algorithms. Our analysis retrieves 57 drug cocktails containing between 2 and 6 drugs. We discuss the improvement of the cocktail selection given by our method, and the application of this approach to the identification of cocktails against other parasitic diseases.Consejo Nacional de Ciencia y TecnologíaPrograma Paraguayo para el Desarrollo de la Ciencia y Tecnología. Proyectos de investigación y desarrolloeng6. Producción y tecnología industrialMulti-objective optimisationDrug repurposingChagas DiseaseGenetic AlgorithmsFARMACOLOGIADrug cocktail selection for the treatment of Chagas disease : a multi-objective approachinfo:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersion14-INV-088info:eu-repo/semantics/openAccess© 2017 IEEETorres, MateoCáceres Silva, Juan JoséJiménez, RubénYubero Rodríguez, Víctor AndrésVega Gómez, María CelesteRolón, Miriam SoledadCernuzzi, Luca CarloBarán, BenjamínBurgos Edwards, Alberto JavierORIGINALDrug cocktail selection for the treatment of Chagas disease : a multi-objective approach.pdfDrug cocktail selection for the treatment of Chagas disease : a multi-objective approach.pdfArtículo científicoapplication/pdf384663http://repositorio.conacyt.gov.py/bitstream/20.500.14066/2831/1/Drug%20cocktail%20selection%20for%20the%20treatment%20of%20Chagas%20disease%20%3a%20a%20multi-objective%20approach.pdf0a14d268bc35ce9ff75881ebd79c5c97MD51LICENSElicense.txtlicense.txttext/plain; charset=utf-81698http://repositorio.conacyt.gov.py/bitstream/20.500.14066/2831/2/license.txt858b22fda432bd774e469302988c1974MD52TEXT14-inv-088art4.pdf.txt14-inv-088art4.pdf.txtExtracted texttext/plain23310http://repositorio.conacyt.gov.py/bitstream/20.500.14066/2831/4/14-inv-088art4.pdf.txt690d7d5ae0a5dabdc1c92f0f1560eae1MD54Drug cocktail selection for the treatment of Chagas disease : a multi-objective approach.pdf.txtDrug cocktail selection for the treatment of Chagas disease : a multi-objective approach.pdf.txtExtracted texttext/plain23310http://repositorio.conacyt.gov.py/bitstream/20.500.14066/2831/6/Drug%20cocktail%20selection%20for%20the%20treatment%20of%20Chagas%20disease%20%3a%20a%20multi-objective%20approach.pdf.txt690d7d5ae0a5dabdc1c92f0f1560eae1MD56THUMBNAIL14-inv-088art4.pdf.jpg14-inv-088art4.pdf.jpgIM Thumbnailimage/jpeg7982http://repositorio.conacyt.gov.py/bitstream/20.500.14066/2831/5/14-inv-088art4.pdf.jpga039718f6dc5e52842ff088218ab48fbMD5520.500.14066/2831oai:repositorio.conacyt.gov.py:20.500.14066/28312026-02-12 19:30:22.969Repositorio Institucional CONACYTrepositorio.institucional@conacyt.gov.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
spellingShingle Drug cocktail selection for the treatment of Chagas disease : a multi-objective approach
Torres, Mateo
6. Producción y tecnología industrial
Multi-objective optimisation
Drug repurposing
Chagas Disease
Genetic Algorithms
FARMACOLOGIA
status_str publishedVersion
title Drug cocktail selection for the treatment of Chagas disease : a multi-objective approach
title_full Drug cocktail selection for the treatment of Chagas disease : a multi-objective approach
title_fullStr Drug cocktail selection for the treatment of Chagas disease : a multi-objective approach
title_full_unstemmed Drug cocktail selection for the treatment of Chagas disease : a multi-objective approach
title_short Drug cocktail selection for the treatment of Chagas disease : a multi-objective approach
title_sort Drug cocktail selection for the treatment of Chagas disease : a multi-objective approach
topic 6. Producción y tecnología industrial
Multi-objective optimisation
Drug repurposing
Chagas Disease
Genetic Algorithms
FARMACOLOGIA
url http://hdl.handle.net/20.500.14066/2831

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