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 | Acesso ao texto completo restrito à biblioteca da Embrapa Agricultura Digital. Para informações adicionais entre em contato com cnptia.biblioteca@embrapa.br. |
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Registro Completo |
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Biblioteca(s): |
Embrapa Agricultura Digital. |
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Data corrente: |
08/01/2018 |
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Data da última atualização: |
07/01/2020 |
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Tipo da produção científica: |
Artigo em Periódico Indexado |
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Autoria: |
VILLALTA-ROMERO, F.; BORRO, l.; MANDIC, B.; ESCALANTE, T.; RUCAVADO, A.; GUTIÉRREZ, J. M.; NESHICH, G.; TASIC, L. |
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Afiliação: |
FABIAN VILLALTA-ROMERO, Unicamp; LUIZ BORRO, Unicamp; BORIS MANDIC, University of Belgrade, Belgrade; TERESA ESCALANTE, Universidad de Costa Rica, San José; ALEXANDRA RUCAVADO, Universidad de Costa Rica, San José; JOSE MARÍA GUTIÉRREZ, Universidad de Costa Rica, San José; GORAN NESIC, CNPTIA; LJUBICA TASIC, Unicamp. |
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Título: |
Discovery of small molecule inhibitors for the snake venom metalloprotease BaP1 using in silico and in vitro tests. |
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Ano de publicação: |
2017 |
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Fonte/Imprenta: |
Bioorganic & Medicinal Chemistry Letters, v. 27, p. 2018-2022, 2017. |
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Idioma: |
Inglês |
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Conteúdo: |
Snakebites represent an important public health problem, with a great number of victims with permanent sequelae or fatal outcomes, particularly in rural, agriculturally active areas. The snake venom metalloproteases (SVMPs) are the principal proteins responsible for some clinically-relevant effects, such as local and systemic hemorrhage, dermonecrosis, and myonecrosis. Because of the difficulties in neutralizing them rapidly and locally by antivenoms, the search and design of small molecules as inhibitors of SVMPs are proposed. The Bothrops asper metalloprotease P1 (BaP1) is hereby used as a target protein and by High Throughput Virtual Screening (HTVS) approach, the free access virtual libraries: ZINC, PubChem and ChEMBL, were searched for potent small molecule inhibitors. Results from the aforementioned approaches provided strong evidences on the structural requirements for the efficient BaP1 inhibition such as the presence of the pyrimidine-2,4,6-trione moiety. The two proposed compounds have also shown excellent results in performed in vitro interaction studies against BaP1. |
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Palavras-Chave: |
Discovery; Metaloprotease; Moléculas; Molecule; Snake venoms. |
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Thesaurus Nal: |
Metalloproteinases. |
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Categoria do assunto: |
X Pesquisa, Tecnologia e Engenharia |
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Marc: |
LEADER 01904naa a2200277 a 4500
001 2084597
005 2020-01-07
008 2017 bl uuuu u00u1 u #d
100 1 $aVILLALTA-ROMERO, F.
245 $aDiscovery of small molecule inhibitors for the snake venom metalloprotease BaP1 using in silico and in vitro tests.$h[electronic resource]
260 $c2017
520 $aSnakebites represent an important public health problem, with a great number of victims with permanent sequelae or fatal outcomes, particularly in rural, agriculturally active areas. The snake venom metalloproteases (SVMPs) are the principal proteins responsible for some clinically-relevant effects, such as local and systemic hemorrhage, dermonecrosis, and myonecrosis. Because of the difficulties in neutralizing them rapidly and locally by antivenoms, the search and design of small molecules as inhibitors of SVMPs are proposed. The Bothrops asper metalloprotease P1 (BaP1) is hereby used as a target protein and by High Throughput Virtual Screening (HTVS) approach, the free access virtual libraries: ZINC, PubChem and ChEMBL, were searched for potent small molecule inhibitors. Results from the aforementioned approaches provided strong evidences on the structural requirements for the efficient BaP1 inhibition such as the presence of the pyrimidine-2,4,6-trione moiety. The two proposed compounds have also shown excellent results in performed in vitro interaction studies against BaP1.
650 $aMetalloproteinases
653 $aDiscovery
653 $aMetaloprotease
653 $aMoléculas
653 $aMolecule
653 $aSnake venoms
700 1 $aBORRO, l.
700 1 $aMANDIC, B.
700 1 $aESCALANTE, T.
700 1 $aRUCAVADO, A.
700 1 $aGUTIÉRREZ, J. M.
700 1 $aNESHICH, G.
700 1 $aTASIC, L.
773 $tBioorganic & Medicinal Chemistry Letters$gv. 27, p. 2018-2022, 2017.
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Registro original: |
Embrapa Agricultura Digital (CNPTIA) |
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| Acesso ao texto completo restrito à biblioteca da Embrapa Soja. Para informações adicionais entre em contato com valeria.cardoso@embrapa.br. |
Registro Completo
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Biblioteca(s): |
Embrapa Soja; Embrapa Suínos e Aves. |
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Data corrente: |
07/06/2021 |
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Data da última atualização: |
25/10/2023 |
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Tipo da produção científica: |
Artigo em Periódico Indexado |
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Circulação/Nível: |
A - 1 |
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Autoria: |
SILVA, E.; BELINATO, J. R.; PORTO, C.; NUNES, E. de O.; MARCELINO-GUIMARÃES, F. C.; MEYER, M. C.; PILAU, E. J. |
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Afiliação: |
EVANDRO SILVA, UEM; JOÃO RAUL BELINATO, Unicamp/INCTBio; CARLA PORTO, UEM/MsBioscience; ESTELA DE OLIVEIRA NUNES, CNPSA; FRANCISMAR CORREA MARCELINO GUIMARA, CNPSO; MAURICIO CONRADO MEYER, CNPSO; EDUARDO JORGE PILAU, UEM. |
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Título: |
Soybean metabolomics based in mass spectrometry: decoding the plant's signaling and defense responses under biotic stress. |
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Ano de publicação: |
2021 |
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Fonte/Imprenta: |
Journal of Agricultural and Food Chemistry, v. 69, n. 26, p. 7257-7267, 2021. |
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DOI: |
https://doi.org/10.1021/acs.jafc.0c07758 |
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Idioma: |
Inglês |
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Conteúdo: |
Abstract: Metabolomics is an omics technology that is extremely valuable to analyze all small-molecule metabolites in organisms. Recent advances in analytical instrumentation, such as mass spectrometry combined with data processing tools, chemometrics, and spectral data libraries, allow plant metabolomics studies to play a fundamental role in the agriculture field and food security. Few studies are found in the literature using the metabolomics approach in soybean plants on biotic stress. In this review, we provide a new perspective highlighting the potential of metabolomics-based mass spectrometry for soybean in response to biotic stress. Furthermore, we highlight the response and adaptation mechanisms of soybean on biotic stress about primary and secondary metabolism. Consequently, we provide subsidies for further studies of the resistance and improvement of the crop. |
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Palavras-Chave: |
Estresse biótico; Metabólitos. |
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Thesagro: |
Espectrometria; Meio de Cultura; Patógeno; Soja. |
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Thesaurus NAL: |
Biotic stress; Crops; Mass spectrometry; Metabolites; Pathogens; Soybeans. |
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Categoria do assunto: |
--
X Pesquisa, Tecnologia e Engenharia |
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Marc: |
LEADER 01916naa a2200349 a 4500
001 2132225
005 2023-10-25
008 2021 bl uuuu u00u1 u #d
024 7 $ahttps://doi.org/10.1021/acs.jafc.0c07758$2DOI
100 1 $aSILVA, E.
245 $aSoybean metabolomics based in mass spectrometry$bdecoding the plant's signaling and defense responses under biotic stress.$h[electronic resource]
260 $c2021
520 $aAbstract: Metabolomics is an omics technology that is extremely valuable to analyze all small-molecule metabolites in organisms. Recent advances in analytical instrumentation, such as mass spectrometry combined with data processing tools, chemometrics, and spectral data libraries, allow plant metabolomics studies to play a fundamental role in the agriculture field and food security. Few studies are found in the literature using the metabolomics approach in soybean plants on biotic stress. In this review, we provide a new perspective highlighting the potential of metabolomics-based mass spectrometry for soybean in response to biotic stress. Furthermore, we highlight the response and adaptation mechanisms of soybean on biotic stress about primary and secondary metabolism. Consequently, we provide subsidies for further studies of the resistance and improvement of the crop.
650 $aBiotic stress
650 $aCrops
650 $aMass spectrometry
650 $aMetabolites
650 $aPathogens
650 $aSoybeans
650 $aEspectrometria
650 $aMeio de Cultura
650 $aPatógeno
650 $aSoja
653 $aEstresse biótico
653 $aMetabólitos
700 1 $aBELINATO, J. R.
700 1 $aPORTO, C.
700 1 $aNUNES, E. de O.
700 1 $aMARCELINO-GUIMARÃES, F. C.
700 1 $aMEYER, M. C.
700 1 $aPILAU, E. J.
773 $tJournal of Agricultural and Food Chemistry$gv. 69, n. 26, p. 7257-7267, 2021.
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Embrapa Suínos e Aves (CNPSA) |
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