Data/hora: 03/06/2024 16:48:31

Biblioteca(s): 	Embrapa Agricultura Digital.	
Data corrente: 	01/02/2012	
Data da última atualização: 	13/01/2020	
Autoria: 	NESHICH, I.; HAYASHI, M.; NESHICH, G.	
Afiliação: 	IZABELLA NESHICH, CNPTIA; MIRIAN HAYASHI, Unifesp; GORAN NESHICH, CNPTIA.	
Título: 	Structural characterization of MK-801 binding site through spatial and physical-chemical properties on NMDAr-mimicking AMPA-Glur mutants.	
Ano de publicação: 	2011	
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.	
Páginas: 	Não paginado.	
Idioma: 	Inglês	
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.	
Palavras-Chave: 	Bioinformática; Caracterização estrutural de MK-801; Dizocilpine; Propriedades físico-químicas.	
Thesaurus Nal: 	Bioinformatics; Physicochemical properties.	
Categoria do assunto: 	--	
Registro original: 	Embrapa Agricultura Digital (CNPTIA)	
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