Estudos de interação entre lectinas do tipo ConA e glicanos presentes na proteína Spike do novo Coronavírus

Detalhes bibliográficos
Ano de defesa: 2022
Autor(a) principal: Correia, Sarah Elizabeth Gomes
Orientador(a): Cavada, Benildo Sousa
Banca de defesa: Não Informado pela instituição
Tipo de documento: Dissertação
Tipo de acesso: Acesso aberto
Idioma: por
Instituição de defesa: Não Informado pela instituição
Programa de Pós-Graduação: Não Informado pela instituição
Departamento: Não Informado pela instituição
País: Não Informado pela instituição
Palavras-chave em Português:
Link de acesso: http://www.repositorio.ufc.br/handle/riufc/66799
Resumo: Lectins are proteins with varied and wide applicability in the field of biotechnology. In general, they are defined as proteins that have the ability to bind specifically and reversibly to carbohydrates, without altering the structure of the ligand. the property of lectins of interactions through due failures, an application that results in relatively simple bioinformation and can generate large interactions with data. In this area of bioinformatics, the use of computer simulations in the study of lectins is promising for application in the health sphere, since it allows a quick and cheap prospection of potential ligands that may include those present in pathogens. Currently, the SARS-CoV-2 virus is one of the biggest threats to global health due to the high infection capacity, responsible for enormous pressure on the health sector due to a high number of infected with consequent hospitalizations. Studies that the infectious activity of coronaviruses is related to the activity of the spike glycoprotein in the envelope and that it has the ability to interact with the host cell 2 converting enzyme of the host. Therefore, the main objective of this study was to analyze the project of recognition of ConA-type lectins to the spike glycoprotein through molecular docking analysis with glycans present on the surface of this target molecule. In order for this objective library to be glycated, a process of building structures of three-dimensional steps, performed and embedded in the interaction, simulations of interaction between lectins and molecular docking assays to determine the most promising lectins in the interaction with a SARS S protein -CoV-2 that may proceed to experimental trials in the future.
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spelling Correia, Sarah Elizabeth GomesOsterne, Vinicius José da SilvaCavada, Benildo Sousa2022-06-29T16:24:44Z2022-06-29T16:24:44Z2022CORREIA, Sarah Elizabeth Gomes. Estudos de interação entre lectinas do tipo ConA e glicanos presentes na proteína Spike do novo Coronavírus. 2022. 50 f. Dissertação (Mestrado em Biotecnologia de Recursos Naturais) - Universidade Federal do Ceará, Fortaleza, 2022.http://www.repositorio.ufc.br/handle/riufc/66799Lectins are proteins with varied and wide applicability in the field of biotechnology. In general, they are defined as proteins that have the ability to bind specifically and reversibly to carbohydrates, without altering the structure of the ligand. the property of lectins of interactions through due failures, an application that results in relatively simple bioinformation and can generate large interactions with data. In this area of bioinformatics, the use of computer simulations in the study of lectins is promising for application in the health sphere, since it allows a quick and cheap prospection of potential ligands that may include those present in pathogens. Currently, the SARS-CoV-2 virus is one of the biggest threats to global health due to the high infection capacity, responsible for enormous pressure on the health sector due to a high number of infected with consequent hospitalizations. Studies that the infectious activity of coronaviruses is related to the activity of the spike glycoprotein in the envelope and that it has the ability to interact with the host cell 2 converting enzyme of the host. Therefore, the main objective of this study was to analyze the project of recognition of ConA-type lectins to the spike glycoprotein through molecular docking analysis with glycans present on the surface of this target molecule. In order for this objective library to be glycated, a process of building structures of three-dimensional steps, performed and embedded in the interaction, simulations of interaction between lectins and molecular docking assays to determine the most promising lectins in the interaction with a SARS S protein -CoV-2 that may proceed to experimental trials in the future.As lectinas são proteínas com aplicabilidade variada e ampla na área da biotecnologia. De modo geral, elas têm como definição serem proteínas que possuem a habilidade de se ligar especificamente e reversivelmente a carboidratos, não alterando a estrutura do ligante. Devido a propriedade das lectinas de interação com ligantes por meio de interações fracas, a aplicação dessas proteínas em bioinformática é relativamente simples e pode gerar grandes quantidades de dados. Dentro dessa área da bioinformática o uso de simulações computacionais no estudo de lectinas se mostra promissor para aplicação na esfera da saúde, uma vez que permite a prospecção rápida e barata de potenciais ligantes que podem incluir glicoconjugados presentes em patógenos. Atualmente, o vírus SARS-CoV-2 é uma das maiores ameaças à saúde global em virtude da alta capacidade de infecção, responsável por pressionar enormemente o setor de saúde devido a um número elevado de infectados com consequentes internações. Estudos demonstram que a atividade infecciosa dos coronavírus está relacionada com a atividade da glicoproteína spike presente no envelope viral e que tem a capacidade de interagir com a enzima conversora da angiotensina 2 da célula hospedeira. Diante disso, este projeto teve como objetivo principal analisar o reconhecimento de lectinas do tipo ConA à glicoproteína spike por meio da análise de de docking molecular com glicanos presentes na superfície dessa molécula-alvo. Para que esse objetivo seja alcançado, um processo de três etapas foi realizado: construção de uma biblioteca de estruturas tridimensionais dos glicanos de spike, separadamente e inseridas na proteína, simulações de interação entre lectinas e os glicanos por meio de docking molecular e análise das simulações para determinação das lectinas mais promissoras na interação com a proteína S do SARS-CoV-2 que poderão proceder para ensaios experimentais no futuro.LectinasConABioinformáticaSARS-CoV-2Glicoproteína s pikeEstudos de interação entre lectinas do tipo ConA e glicanos presentes na proteína Spike do novo Coronavírusinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/masterThesisporreponame:Repositório Institucional da Universidade Federal do Ceará (UFC)instname:Universidade Federal do Ceará (UFC)instacron:UFCinfo:eu-repo/semantics/openAccessORIGINAL2022_dis_segcorreia.pdf2022_dis_segcorreia.pdfapplication/pdf1855689http://repositorio.ufc.br/bitstream/riufc/66799/3/2022_dis_segcorreia.pdf99d86cbfeb9ef496ff18ce8227768cd8MD53LICENSElicense.txtlicense.txttext/plain; charset=utf-82152http://repositorio.ufc.br/bitstream/riufc/66799/4/license.txtfb3ad2d23d9790966439580114baefafMD54riufc/667992022-06-29 13:24:44.26oai:repositorio.ufc.br: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Repositório InstitucionalPUBhttp://www.repositorio.ufc.br/ri-oai/requestbu@ufc.br || repositorio@ufc.bropendoar:2022-06-29T16:24:44Repositório Institucional da Universidade Federal do Ceará (UFC) - Universidade Federal do Ceará (UFC)false
dc.title.pt_BR.fl_str_mv Estudos de interação entre lectinas do tipo ConA e glicanos presentes na proteína Spike do novo Coronavírus
title Estudos de interação entre lectinas do tipo ConA e glicanos presentes na proteína Spike do novo Coronavírus
spellingShingle Estudos de interação entre lectinas do tipo ConA e glicanos presentes na proteína Spike do novo Coronavírus
Correia, Sarah Elizabeth Gomes
Lectinas
ConA
Bioinformática
SARS-CoV-2
Glicoproteína s pike
title_short Estudos de interação entre lectinas do tipo ConA e glicanos presentes na proteína Spike do novo Coronavírus
title_full Estudos de interação entre lectinas do tipo ConA e glicanos presentes na proteína Spike do novo Coronavírus
title_fullStr Estudos de interação entre lectinas do tipo ConA e glicanos presentes na proteína Spike do novo Coronavírus
title_full_unstemmed Estudos de interação entre lectinas do tipo ConA e glicanos presentes na proteína Spike do novo Coronavírus
title_sort Estudos de interação entre lectinas do tipo ConA e glicanos presentes na proteína Spike do novo Coronavírus
author Correia, Sarah Elizabeth Gomes
author_facet Correia, Sarah Elizabeth Gomes
author_role author
dc.contributor.co-advisor.none.fl_str_mv Osterne, Vinicius José da Silva
dc.contributor.author.fl_str_mv Correia, Sarah Elizabeth Gomes
dc.contributor.advisor1.fl_str_mv Cavada, Benildo Sousa
contributor_str_mv Cavada, Benildo Sousa
dc.subject.por.fl_str_mv Lectinas
ConA
Bioinformática
SARS-CoV-2
Glicoproteína s pike
topic Lectinas
ConA
Bioinformática
SARS-CoV-2
Glicoproteína s pike
description Lectins are proteins with varied and wide applicability in the field of biotechnology. In general, they are defined as proteins that have the ability to bind specifically and reversibly to carbohydrates, without altering the structure of the ligand. the property of lectins of interactions through due failures, an application that results in relatively simple bioinformation and can generate large interactions with data. In this area of bioinformatics, the use of computer simulations in the study of lectins is promising for application in the health sphere, since it allows a quick and cheap prospection of potential ligands that may include those present in pathogens. Currently, the SARS-CoV-2 virus is one of the biggest threats to global health due to the high infection capacity, responsible for enormous pressure on the health sector due to a high number of infected with consequent hospitalizations. Studies that the infectious activity of coronaviruses is related to the activity of the spike glycoprotein in the envelope and that it has the ability to interact with the host cell 2 converting enzyme of the host. Therefore, the main objective of this study was to analyze the project of recognition of ConA-type lectins to the spike glycoprotein through molecular docking analysis with glycans present on the surface of this target molecule. In order for this objective library to be glycated, a process of building structures of three-dimensional steps, performed and embedded in the interaction, simulations of interaction between lectins and molecular docking assays to determine the most promising lectins in the interaction with a SARS S protein -CoV-2 that may proceed to experimental trials in the future.
publishDate 2022
dc.date.accessioned.fl_str_mv 2022-06-29T16:24:44Z
dc.date.available.fl_str_mv 2022-06-29T16:24:44Z
dc.date.issued.fl_str_mv 2022
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/masterThesis
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status_str publishedVersion
dc.identifier.citation.fl_str_mv CORREIA, Sarah Elizabeth Gomes. Estudos de interação entre lectinas do tipo ConA e glicanos presentes na proteína Spike do novo Coronavírus. 2022. 50 f. Dissertação (Mestrado em Biotecnologia de Recursos Naturais) - Universidade Federal do Ceará, Fortaleza, 2022.
dc.identifier.uri.fl_str_mv http://www.repositorio.ufc.br/handle/riufc/66799
identifier_str_mv CORREIA, Sarah Elizabeth Gomes. Estudos de interação entre lectinas do tipo ConA e glicanos presentes na proteína Spike do novo Coronavírus. 2022. 50 f. Dissertação (Mestrado em Biotecnologia de Recursos Naturais) - Universidade Federal do Ceará, Fortaleza, 2022.
url http://www.repositorio.ufc.br/handle/riufc/66799
dc.language.iso.fl_str_mv por
language por
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
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dc.source.none.fl_str_mv reponame:Repositório Institucional da Universidade Federal do Ceará (UFC)
instname:Universidade Federal do Ceará (UFC)
instacron:UFC
instname_str Universidade Federal do Ceará (UFC)
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reponame_str Repositório Institucional da Universidade Federal do Ceará (UFC)
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