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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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| Registros recuperados : 6 | |
| 1. |  | THIOYE, B.; KANE, A.; FALL, D.; NDIAYE. C.; BÂ, M.; SANGUIN, H.; DUPONNOIS, R.; DIÉDHIOU, A. G.; FARIA, S. M. de; SYLLA, S. N.; BÂ, A. Amélioration de la croissance et de la nutrition du jujubier (Ziziphus mauritiana Lam.) par I'inoculation mycorhizienne et la fertilisation phosphatée sur le tracé du projet Grande Murille Verte au Sénégal Journal de Confluens: solutions aux chagements climatiques, numéro spécial 1, mars 2015.| Tipo: Resumo em Anais de Congresso |
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| 2. | | FOUGNIES, L.; RENCIOT, S.; MULLER, F.; PLENCHETTE, C.; PRIN, Y.; FARIA, S. M. de; BOUVER, J. M.; SYLLA, S.; DREYFUS, B.; NDOYE, I.; BÁ, A. Arbuscular mycorrhizal colonization and nodulation improve flooding tolerance in Pterocarpus officinalis Jacq. seedlings. In: INTERNATIONAL NITROGEN FIXATION CONGRESS, 15th., INTERNATIONAL CONFERENCE OF THE AFRICAN ASSOCIATION FOR BIOLOGICAL NITROGEN FIXATION, 12th., 2008, South Africa. Biological nitrogen fixation: towards poverty alleviation through sustainable agriculture: proceedings... Heidelberg: Springer, 2008. p. 133-134. Parceria: LBPV-Guadeloupe; LGF-France; LSTM-France; LCM-Senegal. Editores: Felix D. Dakora; Samson B. M. Chimphango; Alex J. Valentine; Claudine Elmerich; William E. Newton.| Tipo: Resumo em Anais de Congresso |
| Biblioteca(s): Embrapa Agrobiologia. |
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| 3. | | THIOYE, B.; KANE, A.; FARIA, S. M. de; FALL, D.; SANOGO, D.; NDYAIE, C.; SANON, K. B.; SOULE, A.; DUPONNOIS, R.; SYLLA, S. L.; BÂ, A. M. Growth response of different species and provenances of jujube seedlings to inoculation with arbuscular mycorrhizal fungi. In: BHOOPANDER, G.; PRASAD, R.; VARMA, A. (Ed.). Root biology. London: Springer, 2018. p. 501-519| Tipo: Capítulo em Livro Técnico-Científico |
| Biblioteca(s): Embrapa Agrobiologia. |
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| 4. | | THYOYEA, B.; SANGUING, H.; KANEA, A.; FARIA, S. M. de; FALLF, D.; PRIN, Y.; SANOGO, D.; NDIAYE, C.; DUPONNOIS, R.; SYLLA, S. N.; BÂ, A. M. Impact of mycorrhiza-based inoculation strategies on Ziziphus mauritiana Lam. and its native mycorrhizal communities on the route of the Great Green Wall (Senegal). Ecological Engineering, v.128, p. 66-76, 2019.| Tipo: Artigo em Periódico Indexado | Circulação/Nível: A - 1 |
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| 5. | | THIOYE, B.; SANGUIN, H.; KANE, A.; NDIAYE, C.; FALL, D.; SANOGO, D.; DUPONNOIS, R.; FARIA, S. M. de; SYLLA, S. N.; BÂ, A. Mycorrhizal inoculation increases fruit production without disturbance of native arbuscular mycorrhizal community in jujube tree orchards (Senegal). Symbiosis, Published: 25 February 2021.| Tipo: Artigo em Periódico Indexado | Circulação/Nível: A - 2 |
| Biblioteca(s): Embrapa Agrobiologia. |
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| 6. | | THIOYE, B.; Redecker, d.; VAN TUINEN, D.; KANE, A.; FARIA, S. M. de; FALL, D.; Sanogo, D.; NDIAYE, C.; DUPONNOIS, R.; SYLLA, S. N.; BÂ. A. M. Tracing Rhizophagus irregularis isolate IR27 in Ziziphus mauritiana roots under field conditions. Mycorrhiza, v. 29, p. 77-83, 2019. Correções de autoria recomendada: Mycorrhiza, v. 30, p. 171 https://doi.org/10.1007/s00572-020-00935-1 The revised author group is now: Babacar Thioye, DirkRedecker, Diederik van Tuinen, Aboubacry Kane, SergioMania de Faria, Dioumacor...| Tipo: Artigo em Periódico Indexado | Circulação/Nível: A - 1 |
| Biblioteca(s): Embrapa Agrobiologia. |
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| Registros recuperados : 6 | |
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| Nenhum registro encontrado para a expressão de busca informada. |
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