Estudos de interação entre lectinas do tipo ConA e glicanos presentes na proteína Spike do novo Coronavírus
| Ano de defesa: | 2022 |
|---|---|
| Autor(a) principal: | |
| Orientador(a): | |
| Banca de defesa: | |
| Tipo de documento: | Dissertação |
| Tipo de acesso: | Acesso aberto |
| Idioma: | por |
| Instituição de defesa: |
Não Informado pela instituição
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| Programa de Pós-Graduação: |
Não Informado pela instituição
|
| Departamento: |
Não Informado pela instituição
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| 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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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. |
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2022 |
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2022-06-29T16:24:44Z |
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2022-06-29T16:24:44Z |
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2022 |
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info:eu-repo/semantics/publishedVersion |
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info:eu-repo/semantics/masterThesis |
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masterThesis |
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publishedVersion |
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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. |
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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. |
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por |
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