PMID- 26979443
OWN - NLM
STAT- MEDLINE
DCOM- 20170113
LR  - 20170113
IS  - 1559-0291 (Electronic)
IS  - 0273-2289 (Linking)
VI  - 179
IP  - 6
DP  - 2016 Jul
TI  - The Use of Reverse Vaccinology and Molecular Modeling Associated with Cell 
      Proliferation Stimulation Approach to Select Promiscuous Epitopes from 
      Schistosoma mansoni.
PG  - 1023-40
LID - 10.1007/s12010-016-2048-1 [doi]
AB  - Schistosomiasis remains an important parasitic disease that affects millions of 
      individuals worldwide. Despite the availability of chemotherapy, the occurrence 
      of constant reinfection demonstrates the need for additional forms of 
      intervention and the development of a vaccine represents a relevant strategy to 
      control this disease. With the advent of genomics and bioinformatics, new 
      strategies to search for vaccine targets have been proposed, as the reverse 
      vaccinology. In this work, computational analyses of Schistosoma mansoni membrane 
      proteins were performed to predict epitopes with high affinity for different 
      human leukocyte antigen (HLA)-DRB1. Ten epitopes were selected and along with 
      murine major histocompatibility complex (MHC) class II molecule had their 
      three-dimensional structures optimized. Epitope interactions were evaluated 
      against murine MHC class II molecule through molecular docking, electrostatic 
      potential, and molecular volume. The epitope Sm141290 and Sm050890 stood out in 
      most of the molecular modeling analyses. Cellular proliferation assay was 
      performed to evaluate the ability of these epitopes to bind to murine MHC II 
      molecules and stimulate CD4+ T cells showing that the same epitopes were able to 
      significantly stimulate cell proliferation. This work showed an important 
      strategy of peptide selection for epitope-based vaccine design, achieved by in 
      silico analyses that can precede in vivo and in vitro experiments, avoiding 
      excessive experimentation.
FAU - Oliveira, Flavio M
AU  - Oliveira FM
AD  - Laboratory of Molecular Biology, Universidade Federal de Sao Joao del Rei, Av. 
      Sebastiao Goncalves Coelho, 400, Divinopolis, Minas Gerais, 35501-296, Brazil.
FAU - Coelho, Ivan E V
AU  - Coelho IE
AD  - Laboratory of Molecular Modeling, Universidade Federal de Sao Joao del Rei, Av. 
      Sebastiao Goncalves Coelho, 400, Divinopolis, Minas Gerais, 35501-296, Brazil.
FAU - Lopes, Marcelo D
AU  - Lopes MD
AD  - Laboratory of Molecular Biology, Universidade Federal de Sao Joao del Rei, Av. 
      Sebastiao Goncalves Coelho, 400, Divinopolis, Minas Gerais, 35501-296, Brazil.
FAU - Taranto, Alex G
AU  - Taranto AG
AD  - Laboratory of Molecular Modeling, Universidade Federal de Sao Joao del Rei, Av. 
      Sebastiao Goncalves Coelho, 400, Divinopolis, Minas Gerais, 35501-296, Brazil.
FAU - Junior, Moacyr C
AU  - Junior MC
AD  - Laboratory of Molecular Modeling, Universidade Federal de Sao Joao del Rei, Av. 
      Sebastiao Goncalves Coelho, 400, Divinopolis, Minas Gerais, 35501-296, Brazil.
FAU - Santos, Luciana L D
AU  - Santos LL
AD  - Laboratory of Molecular Biology, Universidade Federal de Sao Joao del Rei, Av. 
      Sebastiao Goncalves Coelho, 400, Divinopolis, Minas Gerais, 35501-296, Brazil.
FAU - Villar, Jose A P F
AU  - Villar JA
AD  - Laboratory of Molecular Biology, Universidade Federal de Sao Joao del Rei, Av. 
      Sebastiao Goncalves Coelho, 400, Divinopolis, Minas Gerais, 35501-296, Brazil.
FAU - Fonseca, Cristina T
AU  - Fonseca CT
AD  - Research Group in Parasite Biology and Immunology, Centro de Pesquisas Rene 
      Rachou-Fundacao Oswaldo Cruz, Av. Augusto de Lima, Belo Horizonte, MG, 30190-002, 
      Brazil.
FAU - Lopes, Debora D O
AU  - Lopes DD
AD  - Laboratory of Molecular Biology, Universidade Federal de Sao Joao del Rei, Av. 
      Sebastiao Goncalves Coelho, 400, Divinopolis, Minas Gerais, 35501-296, Brazil. 
      debora@ufsj.edu.br.
LA  - eng
PT  - Journal Article
DEP - 20160316
PL  - United States
TA  - Appl Biochem Biotechnol
JT  - Applied biochemistry and biotechnology
JID - 8208561
RN  - 0 (Epitopes)
RN  - 0 (Membrane Proteins)
RN  - 0 (Vaccines)
SB  - IM
MH  - Animals
MH  - Cell Proliferation/*genetics
MH  - Epitopes/genetics/*immunology
MH  - Humans
MH  - Membrane Proteins/immunology
MH  - Mice
MH  - Models, Molecular
MH  - Molecular Docking Simulation
MH  - Schistosoma mansoni/genetics/*immunology/pathogenicity
MH  - T-Lymphocytes/immunology
MH  - Vaccines/genetics/*immunology
OTO - NOTNLM
OT  - Cell proliferation
OT  - Epitopes
OT  - Molecular docking
OT  - Reverse vaccinology
OT  - Schistosomiasis
EDAT- 2016/03/17 06:00
MHDA- 2017/01/14 06:00
CRDT- 2016/03/17 06:00
PHST- 2015/12/21 00:00 [received]
PHST- 2016/03/07 00:00 [accepted]
PHST- 2016/03/17 06:00 [entrez]
PHST- 2016/03/17 06:00 [pubmed]
PHST- 2017/01/14 06:00 [medline]
AID - 10.1007/s12010-016-2048-1 [pii]
AID - 10.1007/s12010-016-2048-1 [doi]
PST - ppublish
SO  - Appl Biochem Biotechnol. 2016 Jul;179(6):1023-40. doi: 10.1007/s12010-016-2048-1. 
      Epub 2016 Mar 16.