A Computational Methodology to Overcome the Challenges Associated With the Search for Specific Enzyme Targets to Develop Drugs Against Leishmania major

Detalhes bibliográficos
Autor(a) principal: Catharina, Larissa
Data de Publicação: 2017
Outros Autores: Lima, Carlyle Ribeiro, Franca, Alexander, Guimarães, Ana Carolina Ramos, Alves-Ferreira, Marcelo, Tuffery, Pierre, Derreumaux, Philippe, Carels, Nicolas
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da FIOCRUZ (ARCA)
Texto Completo: https://www.arca.fiocruz.br/handle/icict/20986
Resumo: Instituto Nacional de Ciência e Tecnologia de Inovação em Doenças Negligenciadas. Rio de Janeiro, RJ, Brasil / Fundação Oswaldo Cruz. Centro de Desenvolvimento Tecnológico em Saúde. Rio de Janeiro, RJ, Brasil.
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spelling Catharina, LarissaLima, Carlyle RibeiroFranca, AlexanderGuimarães, Ana Carolina RamosAlves-Ferreira, MarceloTuffery, PierreDerreumaux, PhilippeCarels, Nicolas2017-09-12T18:28:40Z2017-09-12T18:28:40Z2017CATHARINA, L. et al. A Computational Methodology to Overcome the Challenges Associated With the Search for Specific Enzyme Targets to Develop Drugs Against Leishmania major. Bioinform Biol Insights, v. 11, p. 1-21, 2017.11779322https://www.arca.fiocruz.br/handle/icict/2098610.1177/1177932217712471engSAGE PublishingLeishmaniosegenômicaLeishmaniasisgenomicssequence homologyAnEnPispecific enzymesmetabolismA Computational Methodology to Overcome the Challenges Associated With the Search for Specific Enzyme Targets to Develop Drugs Against Leishmania majorinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleInstituto Nacional de Ciência e Tecnologia de Inovação em Doenças Negligenciadas. Rio de Janeiro, RJ, Brasil / Fundação Oswaldo Cruz. Centro de Desenvolvimento Tecnológico em Saúde. Rio de Janeiro, RJ, Brasil.Université Paris 7. Centre National de la Recherche Scientifique (CNRS). Institut de Biologie Physico-Chimique (UPR 9080). Laboratoire de Biochimie Théorique. Paris, France / Université Paris Diderot. Institut National de la Santé et de la Recherche Médicale (INSERM). Molécules Thérapeutiques in silico (UMR-S 973). Paris, France.Fundação Oswaldo Cruz. Instituto Oswaldo Cruz. Laboratório de Genômica Funcional e Bioinformática. Rio de Janeiro, Brazil.Fundação Oswaldo Cruz. Instituto Oswaldo Cruz. Laboratório de Genômica Funcional e Bioinformática. Rio de Janeiro, Brazil.Fundação Oswaldo Cruz. Centro de Desenvolvimento Tecnológico em Saúde. Rio de Janeiro, RJ, Brasil.Université Paris Diderot. Institut National de la Santé et de la Recherche Médicale (INSERM). Molécules Thérapeutiques in silico (UMR-S 973). Paris, France.Université Paris 7. Centre National de la Recherche Scientifique (CNRS). Institut de Biologie Physico-Chimique (UPR 9080). Laboratoire de Biochimie Théorique. Paris, France.Instituto Nacional de Ciência e Tecnologia de Inovação em Doenças Negligenciadas. Rio de Janeiro, RJ, Brasil / Fundação Oswaldo Cruz. Centro de Desenvolvimento Tecnológico em Saúde. Rio de Janeiro, RJ, Brasil.We present an approach for detecting enzymes that are specific of Leishmania major compared with Homo sapiens and provide targets that may assist research in drug development. This approach is based on traditional techniques of sequence homology comparison by similarity search and Markov modeling; it integrates the characterization of enzymatic functionality, secondary and tertiary protein structures, protein domain architecture, and metabolic environment. From 67 enzymes represented by 42 enzymatic activities classified by AnEnPi (Analogous Enzymes Pipeline) as specific for L major compared with H sapiens, only 40 (23 Enzyme Commission [EC] numbers) could actually be considered as strictly specific of L major and 27 enzymes (19 EC numbers) were disregarded for having ambiguous homologies or analogies with H sapiens. Among the 40 strictly specific enzymes, we identified sterol 24-C-methyltransferase, pyruvate phosphate dikinase, trypanothione synthetase, and RNA-editing ligase as 4 essential enzymes for L major that may serve as targets for drug development.info:eu-repo/semantics/openAccessreponame:Repositório Institucional da FIOCRUZ (ARCA)instname:Fundação Oswaldo Cruz (FIOCRUZ)instacron:FIOCRUZLICENSElicense.txtlicense.txttext/plain; charset=utf-83101https://www.arca.fiocruz.br/bitstream/icict/20986/1/license.txt425ef259bcb460998407fbfed7c102d0MD51ORIGINALCatharina_etal_2017.pdfCatharina_etal_2017.pdfapplication/pdf1469622https://www.arca.fiocruz.br/bitstream/icict/20986/2/Catharina_etal_2017.pdf42e6d193699bd49936cd24fa4cb44db6MD52TEXTCatharina_etal_2017.pdf.txtCatharina_etal_2017.pdf.txtExtracted texttext/plain99032https://www.arca.fiocruz.br/bitstream/icict/20986/3/Catharina_etal_2017.pdf.txtcdaf84b338062f822cb4047a51c62d4cMD53icict/209862018-08-15 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dc.title.pt_BR.fl_str_mv A Computational Methodology to Overcome the Challenges Associated With the Search for Specific Enzyme Targets to Develop Drugs Against Leishmania major
title A Computational Methodology to Overcome the Challenges Associated With the Search for Specific Enzyme Targets to Develop Drugs Against Leishmania major
spellingShingle A Computational Methodology to Overcome the Challenges Associated With the Search for Specific Enzyme Targets to Develop Drugs Against Leishmania major
Catharina, Larissa
Leishmaniose
genômica
Leishmaniasis
genomics
sequence homology
AnEnPi
specific enzymes
metabolism
title_short A Computational Methodology to Overcome the Challenges Associated With the Search for Specific Enzyme Targets to Develop Drugs Against Leishmania major
title_full A Computational Methodology to Overcome the Challenges Associated With the Search for Specific Enzyme Targets to Develop Drugs Against Leishmania major
title_fullStr A Computational Methodology to Overcome the Challenges Associated With the Search for Specific Enzyme Targets to Develop Drugs Against Leishmania major
title_full_unstemmed A Computational Methodology to Overcome the Challenges Associated With the Search for Specific Enzyme Targets to Develop Drugs Against Leishmania major
title_sort A Computational Methodology to Overcome the Challenges Associated With the Search for Specific Enzyme Targets to Develop Drugs Against Leishmania major
author Catharina, Larissa
author_facet Catharina, Larissa
Lima, Carlyle Ribeiro
Franca, Alexander
Guimarães, Ana Carolina Ramos
Alves-Ferreira, Marcelo
Tuffery, Pierre
Derreumaux, Philippe
Carels, Nicolas
author_role author
author2 Lima, Carlyle Ribeiro
Franca, Alexander
Guimarães, Ana Carolina Ramos
Alves-Ferreira, Marcelo
Tuffery, Pierre
Derreumaux, Philippe
Carels, Nicolas
author2_role author
author
author
author
author
author
author
dc.contributor.author.fl_str_mv Catharina, Larissa
Lima, Carlyle Ribeiro
Franca, Alexander
Guimarães, Ana Carolina Ramos
Alves-Ferreira, Marcelo
Tuffery, Pierre
Derreumaux, Philippe
Carels, Nicolas
dc.subject.other.pt_BR.fl_str_mv Leishmaniose
genômica
topic Leishmaniose
genômica
Leishmaniasis
genomics
sequence homology
AnEnPi
specific enzymes
metabolism
dc.subject.en.pt_BR.fl_str_mv Leishmaniasis
genomics
sequence homology
AnEnPi
specific enzymes
metabolism
description Instituto Nacional de Ciência e Tecnologia de Inovação em Doenças Negligenciadas. Rio de Janeiro, RJ, Brasil / Fundação Oswaldo Cruz. Centro de Desenvolvimento Tecnológico em Saúde. Rio de Janeiro, RJ, Brasil.
publishDate 2017
dc.date.accessioned.fl_str_mv 2017-09-12T18:28:40Z
dc.date.available.fl_str_mv 2017-09-12T18:28:40Z
dc.date.issued.fl_str_mv 2017
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.citation.fl_str_mv CATHARINA, L. et al. A Computational Methodology to Overcome the Challenges Associated With the Search for Specific Enzyme Targets to Develop Drugs Against Leishmania major. Bioinform Biol Insights, v. 11, p. 1-21, 2017.
dc.identifier.uri.fl_str_mv https://www.arca.fiocruz.br/handle/icict/20986
dc.identifier.issn.pt_BR.fl_str_mv 11779322
dc.identifier.doi.none.fl_str_mv 10.1177/1177932217712471
identifier_str_mv CATHARINA, L. et al. A Computational Methodology to Overcome the Challenges Associated With the Search for Specific Enzyme Targets to Develop Drugs Against Leishmania major. Bioinform Biol Insights, v. 11, p. 1-21, 2017.
11779322
10.1177/1177932217712471
url https://www.arca.fiocruz.br/handle/icict/20986
dc.language.iso.fl_str_mv eng
language eng
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv SAGE Publishing
publisher.none.fl_str_mv SAGE Publishing
dc.source.none.fl_str_mv reponame:Repositório Institucional da FIOCRUZ (ARCA)
instname:Fundação Oswaldo Cruz (FIOCRUZ)
instacron:FIOCRUZ
instname_str Fundação Oswaldo Cruz (FIOCRUZ)
instacron_str FIOCRUZ
institution FIOCRUZ
reponame_str Repositório Institucional da FIOCRUZ (ARCA)
collection Repositório Institucional da FIOCRUZ (ARCA)
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