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Core Proteomics and Immunoinformatic Approaches to Design a Multiepitope Reverse Vaccine Candidate against Chagas Disease

Chagas disease is a tropical ailment indigenous to South America and caused by the protozoan parasite Trypanosoma cruzi, which has serious health consequences globally. Insect vectors transmit the parasite and, due to the lack of vaccine availability and limited treatment options, we implemented an...

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Autores principales: Islam, Sk Injamamul, Sanjida, Saloa, Ahmed, Sheikh Sunzid, Almehmadi, Mazen, Allahyani, Mamdouh, Aljuaid, Abdulelah, Alsaiari, Ahad Amer, Halawi, Mustafa
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9607777/
https://www.ncbi.nlm.nih.gov/pubmed/36298534
http://dx.doi.org/10.3390/vaccines10101669
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author Islam, Sk Injamamul
Sanjida, Saloa
Ahmed, Sheikh Sunzid
Almehmadi, Mazen
Allahyani, Mamdouh
Aljuaid, Abdulelah
Alsaiari, Ahad Amer
Halawi, Mustafa
author_facet Islam, Sk Injamamul
Sanjida, Saloa
Ahmed, Sheikh Sunzid
Almehmadi, Mazen
Allahyani, Mamdouh
Aljuaid, Abdulelah
Alsaiari, Ahad Amer
Halawi, Mustafa
author_sort Islam, Sk Injamamul
collection PubMed
description Chagas disease is a tropical ailment indigenous to South America and caused by the protozoan parasite Trypanosoma cruzi, which has serious health consequences globally. Insect vectors transmit the parasite and, due to the lack of vaccine availability and limited treatment options, we implemented an integrated core proteomics analysis to design a reverse vaccine candidate based on immune epitopes for disease control. Firstly, T. cruzi core proteomics was used to identify immunodominant epitopes. Therefore, we designed the vaccine sequence to be non-allergic, antigenic, immunogenic, and to have better solubility. After predicting the tertiary structure, docking and molecular dynamics simulation (MDS) were performed with TLR4, MHC-I, and MHC-II receptors to discover the binding affinities. The final vaccine design demonstrated significant hydrogen bond interactions upon docking with TLR4, MHC-I, and MHC-II receptors. This indicated the efficacy of the vaccine candidate. A server-based immune simulation approach was generated to predict the efficacy. Significant structural compactness and binding stability were found based on MDS. Finally, by optimizing codons on Escherichia coli K12, a high GC content and CAI value were obtained, which were then incorporated into the cloning vector pET2+ (a). Thus, the developed vaccine sequence may be a viable therapy option for Chagas disease.
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spelling pubmed-96077772022-10-28 Core Proteomics and Immunoinformatic Approaches to Design a Multiepitope Reverse Vaccine Candidate against Chagas Disease Islam, Sk Injamamul Sanjida, Saloa Ahmed, Sheikh Sunzid Almehmadi, Mazen Allahyani, Mamdouh Aljuaid, Abdulelah Alsaiari, Ahad Amer Halawi, Mustafa Vaccines (Basel) Article Chagas disease is a tropical ailment indigenous to South America and caused by the protozoan parasite Trypanosoma cruzi, which has serious health consequences globally. Insect vectors transmit the parasite and, due to the lack of vaccine availability and limited treatment options, we implemented an integrated core proteomics analysis to design a reverse vaccine candidate based on immune epitopes for disease control. Firstly, T. cruzi core proteomics was used to identify immunodominant epitopes. Therefore, we designed the vaccine sequence to be non-allergic, antigenic, immunogenic, and to have better solubility. After predicting the tertiary structure, docking and molecular dynamics simulation (MDS) were performed with TLR4, MHC-I, and MHC-II receptors to discover the binding affinities. The final vaccine design demonstrated significant hydrogen bond interactions upon docking with TLR4, MHC-I, and MHC-II receptors. This indicated the efficacy of the vaccine candidate. A server-based immune simulation approach was generated to predict the efficacy. Significant structural compactness and binding stability were found based on MDS. Finally, by optimizing codons on Escherichia coli K12, a high GC content and CAI value were obtained, which were then incorporated into the cloning vector pET2+ (a). Thus, the developed vaccine sequence may be a viable therapy option for Chagas disease. MDPI 2022-10-07 /pmc/articles/PMC9607777/ /pubmed/36298534 http://dx.doi.org/10.3390/vaccines10101669 Text en © 2022 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Islam, Sk Injamamul
Sanjida, Saloa
Ahmed, Sheikh Sunzid
Almehmadi, Mazen
Allahyani, Mamdouh
Aljuaid, Abdulelah
Alsaiari, Ahad Amer
Halawi, Mustafa
Core Proteomics and Immunoinformatic Approaches to Design a Multiepitope Reverse Vaccine Candidate against Chagas Disease
title Core Proteomics and Immunoinformatic Approaches to Design a Multiepitope Reverse Vaccine Candidate against Chagas Disease
title_full Core Proteomics and Immunoinformatic Approaches to Design a Multiepitope Reverse Vaccine Candidate against Chagas Disease
title_fullStr Core Proteomics and Immunoinformatic Approaches to Design a Multiepitope Reverse Vaccine Candidate against Chagas Disease
title_full_unstemmed Core Proteomics and Immunoinformatic Approaches to Design a Multiepitope Reverse Vaccine Candidate against Chagas Disease
title_short Core Proteomics and Immunoinformatic Approaches to Design a Multiepitope Reverse Vaccine Candidate against Chagas Disease
title_sort core proteomics and immunoinformatic approaches to design a multiepitope reverse vaccine candidate against chagas disease
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9607777/
https://www.ncbi.nlm.nih.gov/pubmed/36298534
http://dx.doi.org/10.3390/vaccines10101669
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