Author | Santos, Deborah Antunes | |
Author | Costa, Mauricio Garcia de Souza | |
Author | Alves, Carlos Roberto | |
Author | Caffarena, Ernesto Raul | |
Access date | 2017-03-30T16:11:11Z | |
Available date | 2017-03-30T16:11:11Z | |
Document date | 2016 | |
Citation | SANTOS, Deborah Antunes; et al. Structural and dynamic insights into the C-terminal extension of cysteine proteinase B from Leishmania amazonensis. Journal of Molecular Graphics and Modelling, v.70, p.30-39, Nov. 2016. | pt_BR |
ISSN | 1093-3263 | pt_BR |
URI | https://www.arca.fiocruz.br/handle/icict/18219 | |
Language | eng | pt_BR |
Publisher | Elsevier | pt_BR |
Rights | restricted access | pt_BR |
Subject in Portuguese | Proteinase B | pt_BR |
Subject in Portuguese | Extensão C-terminal de cisteína | pt_BR |
Subject in Portuguese | Leishmania amazonensis | pt_BR |
Subject in Portuguese | Predição da estrutura protéica | pt_BR |
Subject in Portuguese | Dinâmica Molecular | pt_BR |
Title | Structural and dynamic insights into the C-terminal extension of cysteine proteinase B from Leishmania amazonensis | pt_BR |
Type | Article | pt_BR |
DOI | 10.1016/j.jmgm.2016.08.007 | |
Abstract | Cysteine proteinase B (CPB) is a significant virulence factor for Leishmania infections. Upon processing from its zymogen form, it happens a release of the immunomodulatory CPB C-terminal extension (cyspep) into the cytoplasm of the macrophage. Epitopes derived from this fragment were shown to influence the proportion of lymphocytes CD8+ upon infection, favoring the parasite escaping from the host́s immune system. At present, there is no available structural data of cyspep, which impairs a proper understanding of its biological functions. Here, we attempted to build molecular models for this fragment and subsequently evaluate their stabilities in aqueous solution from molecular dynamics simulations analysis. Characterization of our models obtained with distinct techniques (comparative modeling, threading, and ab initio) indicates a prevalence of β-sheets in agreement with consensus secondary structure predictions. Simulation data supported this finding since the formation of new strands, along with a rapid disruption of helical content, were observed. Overall, this study provides a rationalization of epitope mapping data and an improved understanding of cyspep antigenicity. | pt_BR |
Affilliation | Fundação Oswaldo Cruz. Programa de Computação Científica. Rio de Janeiro, RJ. Brasil. | pt_BR |
Affilliation | Fundação Oswaldo Cruz. Programa de Computação Científica. Rio de Janeiro, RJ. Brasil. | pt_BR |
Affilliation | Fundação Oswaldo Cruz. Instituto Oswaldo Cruz. Laboratório de Biologia Molecular e Doenças Endêmicas. Rio de Janeiro, RJ. Brasil. | pt_BR |
Affilliation | Fundação Oswaldo Cruz. Programa de Computação Científica. Rio de Janeiro, RJ. Brasil. | pt_BR |
Subject | C-Terminal extension of cysteine | pt_BR |
Subject | proteinase B | pt_BR |
Subject | Leishmania amazonensis | pt_BR |
Subject | Protein structure prediction | pt_BR |
Subject | Molecular dynamics | pt_BR |
e-ISSN | 1873-4243 | |
Embargo date | 2030-01-01 | |