THREE-DIMENSIONAL STRUCTURE OF Leishmania guyanensis MAJOR SURFACE PROTEASE RESOLVED BY COMPARATIVE MODELING

Detalhes bibliográficos
Autor(a) principal: Matayoshi-Calixto, Paulo Henrique
Data de Publicação: 2014
Outros Autores: Fagundes, Diego Santos, Sá-Oliveira, Júlio César
Tipo de documento: Artigo
Idioma: por
Título da fonte: Biota Amazônia
Texto Completo: https://periodicos.unifap.br/index.php/biota/article/view/882
Resumo: The objective of this study was to generate and characterize the three-dimensional structure of L. guyanensis Major Surface Protease (LgMSP). The generation of the structural model was performed by comparative modeling, using the program Modeller from the amino acid sequence LgMSP deposited in GenBank. The results showed that the LgMSP has all the elements necessary for the post-translational processing and functionality, such as signal peptide, propeptide; addition signal glicosilfostatidilinositol anchor (GPI) and the amino acids involved in the composition of catalytic site, HEXXH motif. The structure of LgMSP, showed the same structural characteristics of the template-protein, Major Surface Protease Leishmania major (LmMSP). The alignment between the structures LgMSP and LmMSP revealed great structural conservation, especially the subdomains where is located  the catalytic site. The study of the partial charges shows the same distribution of surface charges, indicating that both proteins can cleave the same substrates. According to the results suggest that LgMSP is an excellent target for the prophylactic and/or curative treatment of American tegumentary leishmaniasis, through rational drug design based on structure generated.Keywords: MSP; comparative modeling; Leishmania guyanensis; structure; surface charges; structural conservation.
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spelling THREE-DIMENSIONAL STRUCTURE OF Leishmania guyanensis MAJOR SURFACE PROTEASE RESOLVED BY COMPARATIVE MODELINGESTRUTURA TRIDIMENSIONAL DA MAJOR SURFACE PROTEASE DE Leishmania guyanensis RESOLVIDA POR MODELAGEM COMPARATIVAThe objective of this study was to generate and characterize the three-dimensional structure of L. guyanensis Major Surface Protease (LgMSP). The generation of the structural model was performed by comparative modeling, using the program Modeller from the amino acid sequence LgMSP deposited in GenBank. The results showed that the LgMSP has all the elements necessary for the post-translational processing and functionality, such as signal peptide, propeptide; addition signal glicosilfostatidilinositol anchor (GPI) and the amino acids involved in the composition of catalytic site, HEXXH motif. The structure of LgMSP, showed the same structural characteristics of the template-protein, Major Surface Protease Leishmania major (LmMSP). The alignment between the structures LgMSP and LmMSP revealed great structural conservation, especially the subdomains where is located  the catalytic site. The study of the partial charges shows the same distribution of surface charges, indicating that both proteins can cleave the same substrates. According to the results suggest that LgMSP is an excellent target for the prophylactic and/or curative treatment of American tegumentary leishmaniasis, through rational drug design based on structure generated.Keywords: MSP; comparative modeling; Leishmania guyanensis; structure; surface charges; structural conservation.O objetivo deste trabalho foi gerar e caracterizar a estrutura tridimensional da Major Surface Protease (MSP) de L. guyanensis (LgMSP). A obtenção do modelo estrutural foi realizada por modelagem comparativa, empregando o programa Modeller, a partir da sequência de aminoácidos da LgMSP depositada no GenBank. Os resultados obtidos apontaram que a LgMSP possui todos os elementos necessários para o processamento pós-traducional e de funcionamento, tais como: peptídeo sinal; pro-peptídeo; sinal de adição da âncora de glicosilfostatidilinositol (GPI); e os aminoácidos envolvidos na composição do sítio catalítico, motif HEXXH. A estrutura da LgMSP, apresentou as mesmas características estruturais da proteína molde, MSP de Leishmania major (LmMSP). O alinhamento entre as estruturas de LgMSP e LmMSP revelou grande conservação estrutural, sobretudo dos subdomínios onde está localizado o sítio catalítico. O estudo das cargas parciais aponta a mesma distribuição das cargas de superfície, indicando que ambas as proteínas possam clivar os mesmos substratos. De acordo com os resultados, sugerimos que a LgMSP seja um excelente alvo para o tratamento profilático e/ou curativo da leishmaniose tegumentar americana, através do desenho racional de fármacos baseado na estrutura gerada.Palavras-chave: MSP, modelagem comparativa, Leishmania guyanensis, estrutura, cargas de superfície, conservação estrutural.Universidade Federal do AmapáMatayoshi-Calixto, Paulo HenriqueFagundes, Diego SantosSá-Oliveira, Júlio César2014-04-08info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArtigo Avaliado pelos Paresapplication/pdfhttps://periodicos.unifap.br/index.php/biota/article/view/88210.18561/2179-5746/biotaamazonia.v4n1p74-80Biota Amazônia (Biote Amazonie, Biota Amazonia, Amazonian Biota); v. 4, n. 1 (2014); 74-802179-5746reponame:Biota Amazôniainstname:Universidade Federal do Amapá (UNIFAP)instacron:UNIFAPporhttps://periodicos.unifap.br/index.php/biota/article/view/882/v4n1p74-80.pdfDireitos autorais 2014 Biota Amazônia (Biote Amazonie, Biota Amazonia, Amazonian Biota)http://creativecommons.org/licenses/by/4.0info:eu-repo/semantics/openAccess2016-04-14T13:39:26Zoai:ojs.pkp.sfu.ca:article/882Revistahttp://periodicos.unifap.br/index.php/biotaONGhttps://periodicos.unifap.br/index.php/biota/oai||juliosa@unifap.br2179-57462179-5746opendoar:2016-04-14T13:39:26Biota Amazônia - Universidade Federal do Amapá (UNIFAP)false
dc.title.none.fl_str_mv THREE-DIMENSIONAL STRUCTURE OF Leishmania guyanensis MAJOR SURFACE PROTEASE RESOLVED BY COMPARATIVE MODELING
ESTRUTURA TRIDIMENSIONAL DA MAJOR SURFACE PROTEASE DE Leishmania guyanensis RESOLVIDA POR MODELAGEM COMPARATIVA
title THREE-DIMENSIONAL STRUCTURE OF Leishmania guyanensis MAJOR SURFACE PROTEASE RESOLVED BY COMPARATIVE MODELING
spellingShingle THREE-DIMENSIONAL STRUCTURE OF Leishmania guyanensis MAJOR SURFACE PROTEASE RESOLVED BY COMPARATIVE MODELING
Matayoshi-Calixto, Paulo Henrique
title_short THREE-DIMENSIONAL STRUCTURE OF Leishmania guyanensis MAJOR SURFACE PROTEASE RESOLVED BY COMPARATIVE MODELING
title_full THREE-DIMENSIONAL STRUCTURE OF Leishmania guyanensis MAJOR SURFACE PROTEASE RESOLVED BY COMPARATIVE MODELING
title_fullStr THREE-DIMENSIONAL STRUCTURE OF Leishmania guyanensis MAJOR SURFACE PROTEASE RESOLVED BY COMPARATIVE MODELING
title_full_unstemmed THREE-DIMENSIONAL STRUCTURE OF Leishmania guyanensis MAJOR SURFACE PROTEASE RESOLVED BY COMPARATIVE MODELING
title_sort THREE-DIMENSIONAL STRUCTURE OF Leishmania guyanensis MAJOR SURFACE PROTEASE RESOLVED BY COMPARATIVE MODELING
author Matayoshi-Calixto, Paulo Henrique
author_facet Matayoshi-Calixto, Paulo Henrique
Fagundes, Diego Santos
Sá-Oliveira, Júlio César
author_role author
author2 Fagundes, Diego Santos
Sá-Oliveira, Júlio César
author2_role author
author
dc.contributor.none.fl_str_mv

dc.contributor.author.fl_str_mv Matayoshi-Calixto, Paulo Henrique
Fagundes, Diego Santos
Sá-Oliveira, Júlio César
description The objective of this study was to generate and characterize the three-dimensional structure of L. guyanensis Major Surface Protease (LgMSP). The generation of the structural model was performed by comparative modeling, using the program Modeller from the amino acid sequence LgMSP deposited in GenBank. The results showed that the LgMSP has all the elements necessary for the post-translational processing and functionality, such as signal peptide, propeptide; addition signal glicosilfostatidilinositol anchor (GPI) and the amino acids involved in the composition of catalytic site, HEXXH motif. The structure of LgMSP, showed the same structural characteristics of the template-protein, Major Surface Protease Leishmania major (LmMSP). The alignment between the structures LgMSP and LmMSP revealed great structural conservation, especially the subdomains where is located  the catalytic site. The study of the partial charges shows the same distribution of surface charges, indicating that both proteins can cleave the same substrates. According to the results suggest that LgMSP is an excellent target for the prophylactic and/or curative treatment of American tegumentary leishmaniasis, through rational drug design based on structure generated.Keywords: MSP; comparative modeling; Leishmania guyanensis; structure; surface charges; structural conservation.
publishDate 2014
dc.date.none.fl_str_mv 2014-04-08
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Artigo Avaliado pelos Pares
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv https://periodicos.unifap.br/index.php/biota/article/view/882
10.18561/2179-5746/biotaamazonia.v4n1p74-80
url https://periodicos.unifap.br/index.php/biota/article/view/882
identifier_str_mv 10.18561/2179-5746/biotaamazonia.v4n1p74-80
dc.language.iso.fl_str_mv por
language por
dc.relation.none.fl_str_mv https://periodicos.unifap.br/index.php/biota/article/view/882/v4n1p74-80.pdf
dc.rights.driver.fl_str_mv Direitos autorais 2014 Biota Amazônia (Biote Amazonie, Biota Amazonia, Amazonian Biota)
http://creativecommons.org/licenses/by/4.0
info:eu-repo/semantics/openAccess
rights_invalid_str_mv Direitos autorais 2014 Biota Amazônia (Biote Amazonie, Biota Amazonia, Amazonian Biota)
http://creativecommons.org/licenses/by/4.0
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.coverage.none.fl_str_mv





dc.publisher.none.fl_str_mv Universidade Federal do Amapá
publisher.none.fl_str_mv Universidade Federal do Amapá
dc.source.none.fl_str_mv Biota Amazônia (Biote Amazonie, Biota Amazonia, Amazonian Biota); v. 4, n. 1 (2014); 74-80
2179-5746
reponame:Biota Amazônia
instname:Universidade Federal do Amapá (UNIFAP)
instacron:UNIFAP
instname_str Universidade Federal do Amapá (UNIFAP)
instacron_str UNIFAP
institution UNIFAP
reponame_str Biota Amazônia
collection Biota Amazônia
repository.name.fl_str_mv Biota Amazônia - Universidade Federal do Amapá (UNIFAP)
repository.mail.fl_str_mv ||juliosa@unifap.br
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