Structural insights of SIR2rp3 proteins as promising biotargets to fight against Chagas disease and leishmaniasis
| Autor(a) principal: | |
|---|---|
| Data de Publicação: | 2013 |
| Outros Autores: | , , , , , |
| Tipo de documento: | Artigo |
| Idioma: | eng |
| Título da fonte: | Repositório Institucional da FIOCRUZ (ARCA) |
| Texto Completo: | https://www.arca.fiocruz.br/handle/icict/8560 |
Resumo: | University of Geneva. University of Lausanne. Pharmacochemistry and Phytochemistry & Bioactive Natural Products. School of Pharmaceutical Sciences. Geneva, Switzerland |
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Sacconnay, LionelSmirlis, DespinaQueiroz, Emerson FerreiraWolfender, Jean-LucSoares, Milena Botelho PereiraCarrupta, Pierre-AlainNurisso, Alessandra2014-10-09T12:36:36Z2014-10-09T12:36:36Z2013SACCONAY, L. et al. Structural insights of SIR2rp3 proteins as promising biotargets to fight against Chagas disease and leishmaniasis. Molecular Biosysttems, v. 9, n. 9, p. 2223-2230, 2013.1742-2051https://www.arca.fiocruz.br/handle/icict/856010.1039/c3mb70180hengThe Royal Society of ChemistryStructural insights of SIR2rp3 proteins as promising biotargets to fight against Chagas disease and leishmaniasisinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleUniversity of Geneva. University of Lausanne. Pharmacochemistry and Phytochemistry & Bioactive Natural Products. School of Pharmaceutical Sciences. Geneva, SwitzerlandHellenic Pasteur Institute. Laboratory of Molecular Parasitology. Microbiology Dept. Athens, GreeceUniversity of Geneva. University of Lausanne. Pharmacochemistry and Phytochemistry & Bioactive Natural Products. School of Pharmaceutical Sciences. Geneva, SwitzerlandUniversity of Geneva. University of Lausanne. Pharmacochemistry and Phytochemistry & Bioactive Natural Products. School of Pharmaceutical Sciences. Geneva, SwitzerlandFundação Oswaldo Cruz. Centro de Pesquisa Gonçalo Moniz. Salvador, BA, Brasil / Hospital São Rafael. Salvador, BA, BrazilUniversity of Geneva. University of Lausanne. Pharmacochemistry and Phytochemistry & Bioactive Natural Products. School of Pharmaceutical Sciences. Geneva, SwitzerlandUniversity of Geneva. University of Lausanne. Pharmacochemistry and Phytochemistry & Bioactive Natural Products. School of Pharmaceutical Sciences. Geneva, SwitzerlandTrypanosoma cruzi and Leishmania spp. are protozoan pathogens responsible for Chagas disease and leishmaniasis, respectively. Current therapies rely only on a very small number of drugs, most of them are inadequate because of their severe host toxicity or drug-resistance phenomena. In order to find therapeutic alternatives, the identification of new biotargets is highly desired. In this study, homology modelling, docking and molecular dynamics simulations have been used to generate robust 3D models of NAD(+)-dependent deacetylases from Trypanosoma and Leishmania spp., known as SIR2rp3, whose structures have never been described before. Molecular docking of known inhibitors revealed strong analogies with the mitochondrial human SIRT5 in terms of binding mode and interaction strength. On the other hand, by extending the analysis to the channel rims, regions of difference between host and parasitic targets, useful for future selective drug design projects, were pointed out.Inibidores Enzimáticos/químicaModelos MolecularesSirtuína 2/químicaSequência de AminoácidosDoença de ChagasInibidores Enzimáticos/farmacologiaHumanosLeishmanioseProteínas Mitocondriais/antagonistas & inibidoresSimulação de Acoplamento MolecularSimulação de Dinâmica MolecularDados de Sequência MolecularConformação ProteicaAlinhamento de SequênciaSirtuína 2/antagonistas & inibidoresTrypanosoma cruzi/metabolismoinfo:eu-repo/semantics/openAccessreponame:Repositório Institucional da FIOCRUZ (ARCA)instname:Fundação Oswaldo Cruz (FIOCRUZ)instacron:FIOCRUZORIGINALSacconay L Structural insights of.....pdfSacconay L Structural insights of.....pdfapplication/pdf3564842https://www.arca.fiocruz.br/bitstream/icict/8560/2/Sacconay%20L%20Structural%20insights%20of.....pdf8dc81c9737f752f76bb479baab61728aMD52LICENSElicense.txtlicense.txttext/plain; charset=utf-81914https://www.arca.fiocruz.br/bitstream/icict/8560/3/license.txt7d48279ffeed55da8dfe2f8e81f3b81fMD53TEXTSacconay L Structural insights of.....pdf.txtSacconay L Structural insights of.....pdf.txtExtracted texttext/plain42445https://www.arca.fiocruz.br/bitstream/icict/8560/4/Sacconay%20L%20Structural%20insights%20of.....pdf.txt760a26fb734de52a35c14a8d96383282MD54icict/85602023-03-15 14:33:15.257oai:www.arca.fiocruz.br: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ório InstitucionalPUBhttps://www.arca.fiocruz.br/oai/requestrepositorio.arca@fiocruz.bropendoar:21352023-03-15T17:33:15Repositório Institucional da FIOCRUZ (ARCA) - Fundação Oswaldo Cruz (FIOCRUZ)false |
| dc.title.pt_BR.fl_str_mv |
Structural insights of SIR2rp3 proteins as promising biotargets to fight against Chagas disease and leishmaniasis |
| title |
Structural insights of SIR2rp3 proteins as promising biotargets to fight against Chagas disease and leishmaniasis |
| spellingShingle |
Structural insights of SIR2rp3 proteins as promising biotargets to fight against Chagas disease and leishmaniasis Sacconnay, Lionel Inibidores Enzimáticos/química Modelos Moleculares Sirtuína 2/química Sequência de Aminoácidos Doença de Chagas Inibidores Enzimáticos/farmacologia Humanos Leishmaniose Proteínas Mitocondriais/antagonistas & inibidores Simulação de Acoplamento Molecular Simulação de Dinâmica Molecular Dados de Sequência Molecular Conformação Proteica Alinhamento de Sequência Sirtuína 2/antagonistas & inibidores Trypanosoma cruzi/metabolismo |
| title_short |
Structural insights of SIR2rp3 proteins as promising biotargets to fight against Chagas disease and leishmaniasis |
| title_full |
Structural insights of SIR2rp3 proteins as promising biotargets to fight against Chagas disease and leishmaniasis |
| title_fullStr |
Structural insights of SIR2rp3 proteins as promising biotargets to fight against Chagas disease and leishmaniasis |
| title_full_unstemmed |
Structural insights of SIR2rp3 proteins as promising biotargets to fight against Chagas disease and leishmaniasis |
| title_sort |
Structural insights of SIR2rp3 proteins as promising biotargets to fight against Chagas disease and leishmaniasis |
| author |
Sacconnay, Lionel |
| author_facet |
Sacconnay, Lionel Smirlis, Despina Queiroz, Emerson Ferreira Wolfender, Jean-Luc Soares, Milena Botelho Pereira Carrupta, Pierre-Alain Nurisso, Alessandra |
| author_role |
author |
| author2 |
Smirlis, Despina Queiroz, Emerson Ferreira Wolfender, Jean-Luc Soares, Milena Botelho Pereira Carrupta, Pierre-Alain Nurisso, Alessandra |
| author2_role |
author author author author author author |
| dc.contributor.author.fl_str_mv |
Sacconnay, Lionel Smirlis, Despina Queiroz, Emerson Ferreira Wolfender, Jean-Luc Soares, Milena Botelho Pereira Carrupta, Pierre-Alain Nurisso, Alessandra |
| dc.subject.decs.pt_BR.fl_str_mv |
Inibidores Enzimáticos/química Modelos Moleculares Sirtuína 2/química Sequência de Aminoácidos Doença de Chagas Inibidores Enzimáticos/farmacologia Humanos Leishmaniose Proteínas Mitocondriais/antagonistas & inibidores Simulação de Acoplamento Molecular Simulação de Dinâmica Molecular Dados de Sequência Molecular Conformação Proteica Alinhamento de Sequência Sirtuína 2/antagonistas & inibidores Trypanosoma cruzi/metabolismo |
| topic |
Inibidores Enzimáticos/química Modelos Moleculares Sirtuína 2/química Sequência de Aminoácidos Doença de Chagas Inibidores Enzimáticos/farmacologia Humanos Leishmaniose Proteínas Mitocondriais/antagonistas & inibidores Simulação de Acoplamento Molecular Simulação de Dinâmica Molecular Dados de Sequência Molecular Conformação Proteica Alinhamento de Sequência Sirtuína 2/antagonistas & inibidores Trypanosoma cruzi/metabolismo |
| description |
University of Geneva. University of Lausanne. Pharmacochemistry and Phytochemistry & Bioactive Natural Products. School of Pharmaceutical Sciences. Geneva, Switzerland |
| publishDate |
2013 |
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2013 |
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2014-10-09T12:36:36Z |
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2014-10-09T12:36:36Z |
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info:eu-repo/semantics/publishedVersion |
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info:eu-repo/semantics/article |
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article |
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publishedVersion |
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SACCONAY, L. et al. Structural insights of SIR2rp3 proteins as promising biotargets to fight against Chagas disease and leishmaniasis. Molecular Biosysttems, v. 9, n. 9, p. 2223-2230, 2013. |
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https://www.arca.fiocruz.br/handle/icict/8560 |
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1742-2051 |
| dc.identifier.doi.none.fl_str_mv |
10.1039/c3mb70180h |
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SACCONAY, L. et al. Structural insights of SIR2rp3 proteins as promising biotargets to fight against Chagas disease and leishmaniasis. Molecular Biosysttems, v. 9, n. 9, p. 2223-2230, 2013. 1742-2051 10.1039/c3mb70180h |
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The Royal Society of Chemistry |
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The Royal Society of Chemistry |
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