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Registro Completo |
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Biblioteca(s): |
Embrapa Agricultura Digital. |
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Data corrente: |
01/02/2012 |
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Data da última atualização: |
13/01/2020 |
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Tipo da produção científica: |
Resumo em Anais de Congresso |
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Autoria: |
NESHICH, I.; HAYASHI, M.; NESHICH, G. |
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Afiliação: |
IZABELLA NESHICH, CNPTIA; MIRIAN HAYASHI, Unifesp; GORAN NESHICH, CNPTIA. |
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Título: |
Structural characterization of MK-801 binding site through spatial and physical-chemical properties on NMDAr-mimicking AMPA-Glur mutants. |
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Ano de publicação: |
2011 |
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Fonte/Imprenta: |
In: ANNUAL MEETING OF THE SBBq, 40., 2011, Foz do Iguaçu. [Proceedings...]. São Paulo, SP: Brazilian Society for Biochemistry and Molecular Biology, 2011. |
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Páginas: |
Não paginado. |
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Idioma: |
Inglês |
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Conteúdo: |
Computational Biology approaches including modeling, dynamics and docking of these compounds to the channel pore region were used. Interestingly, we found that MK-801 had better docking score values against AMPA GluR mutants than to AMPA Wild Type receptor, which is in agreement with the inhibition potency (Ki values) described in the literature. We also suggest a mechanism of binding of MK-801 to GluR and we provided a structural explanation for the MK-801 greater potency of inhibition on triple mutant compared to the double mutant. These results can provide insights on NMDA receptors inhibition by MK-801. |
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Palavras-Chave: |
Bioinformática; Caracterização estrutural de MK-801; Dizocilpine; Propriedades físico-químicas. |
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Thesaurus Nal: |
Bioinformatics; Physicochemical properties. |
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Categoria do assunto: |
-- |
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Marc: |
LEADER 01452nam a2200217 a 4500
001 1914103
005 2020-01-13
008 2011 bl uuuu u00u1 u #d
100 1 $aNESHICH, I.
245 $aStructural characterization of MK-801 binding site through spatial and physical-chemical properties on NMDAr-mimicking AMPA-Glur mutants.$h[electronic resource]
260 $aIn: ANNUAL MEETING OF THE SBBq, 40., 2011, Foz do Iguaçu. [Proceedings...]. São Paulo, SP: Brazilian Society for Biochemistry and Molecular Biology$c2011
300 $aNão paginado.
520 $aComputational Biology approaches including modeling, dynamics and docking of these compounds to the channel pore region were used. Interestingly, we found that MK-801 had better docking score values against AMPA GluR mutants than to AMPA Wild Type receptor, which is in agreement with the inhibition potency (Ki values) described in the literature. We also suggest a mechanism of binding of MK-801 to GluR and we provided a structural explanation for the MK-801 greater potency of inhibition on triple mutant compared to the double mutant. These results can provide insights on NMDA receptors inhibition by MK-801.
650 $aBioinformatics
650 $aPhysicochemical properties
653 $aBioinformática
653 $aCaracterização estrutural de MK-801
653 $aDizocilpine
653 $aPropriedades físico-químicas
700 1 $aHAYASHI, M.
700 1 $aNESHICH, G.
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Registro original: |
Embrapa Agricultura Digital (CNPTIA) |
