An??lise do impacto estrutural de polimorfismos de base ??nica n??o-sin??nimos (nsSNPs) presentes no gene da uroguanilina mediante simula????es por din??mica molecular de longa dura????o

Detalhes bibliográficos
Autor(a) principal: Marcolino, Antonio Carlos Silveira
Data de Publicação: 2016
Tipo de documento: Dissertação
Idioma: por
Título da fonte: Biblioteca Digital de Teses e Dissertações da UCB
Texto Completo: https://bdtd.ucb.br:8443/jspui/handle/tede/2163
Resumo: The guanylate cyclase activator 2B, also known as uroguanylin, is part of the guanylin peptide family, which includes peptides such as guanylin and lymphoguanylin. The guanylin peptides are related to sodium absorption inhibition and water secretion induction. Uroguanylin may be related to various pathologies such as chronic renal failure, congestive heart failure and nephrotic syndrome. Uroguanylin mutations have already been associated with essential hypertension. However, there are no studies on the structural changes in the uroguanylin???s protein that used single nucleotide polymorphisms through the use of molecular dynamics simulations. This study used 16 in silico SNP impact prediction tools to evaluate non synonymous SNPs and to select mutations considered as convergent deleterious, which were further analyzed through long time molecular dynamics simulations of 1 microsecond of duration. The results of the molecular dynamics simulations suggest that all SNPs considered as convergent deleterious suffered some kind of structural change, however, four of these nsSNPs have also undergone flexibility changes, possibly resulting in functional changes.
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spelling Alencar, S??rgio Amorim dehttp://lattes.cnpq.br/7981398735404589http://lattes.cnpq.br/6544021500526945Marcolino, Antonio Carlos Silveira2017-06-21T18:51:54Z2016-03-29MARCOLINO, Antonio Carlos Silveira. An??lise do impacto estrutural de polimorfismos de base ??nica n??o-sin??nimos (nsSNPs) presentes no gene da uroguanilina mediante simula????es por din??mica molecular de longa dura????o. 2016. 111 f. Disserta????o (Programa Stricto Sensu em Ci??ncias Gen??micas e Biotecnologia) - Universidade Cat??lica de Bras??lia, Bras??lia, 2016.https://bdtd.ucb.br:8443/jspui/handle/tede/2163The guanylate cyclase activator 2B, also known as uroguanylin, is part of the guanylin peptide family, which includes peptides such as guanylin and lymphoguanylin. The guanylin peptides are related to sodium absorption inhibition and water secretion induction. Uroguanylin may be related to various pathologies such as chronic renal failure, congestive heart failure and nephrotic syndrome. Uroguanylin mutations have already been associated with essential hypertension. However, there are no studies on the structural changes in the uroguanylin???s protein that used single nucleotide polymorphisms through the use of molecular dynamics simulations. This study used 16 in silico SNP impact prediction tools to evaluate non synonymous SNPs and to select mutations considered as convergent deleterious, which were further analyzed through long time molecular dynamics simulations of 1 microsecond of duration. The results of the molecular dynamics simulations suggest that all SNPs considered as convergent deleterious suffered some kind of structural change, however, four of these nsSNPs have also undergone flexibility changes, possibly resulting in functional changes.O ativador guanilato ciclase 2B, tamb??m conhecido como uroguanilina, faz parte da fam??lia de pept??deos da guanilina, a qual inclui pept??deos como a guanilina e a linfoguanilina. Os pept??deos da guanilina est??o ligados ?? inibi????o da absor????o de s??dio e indu????o da secre????o de ??gua. A disfun????o da uroguanilina est?? relacionada ao desenvolvimento de v??rias patologias, como insufici??ncia renal cr??nica, insufici??ncia card??aca congestiva e s??ndrome nefr??tica. Muta????es na uroguanilina tamb??m j?? foram associadas ?? hipertens??o essencial. Entretanto, n??o existem estudos sobre a utiliza????o de simula????es por din??mica molecular para avaliar o impacto estrutural causado por nsSNPs presentes no gene codificador da prote??na uroguanilina. Este estudo utilizou 16 ferramentas in silico de predi????o de impacto de nsSNPs para filtrar nsSNPs convergentes delet??rios para posterior an??lise por simula????es por din??mica molecular de longa dura????o (1 microssegundo de dura????o). Os resultados das simula????es por din??mica molecular sugerem que todos os nsSNPs considerados como convergentes delet??rios sofreram algum tipo de altera????o estrutural, por??m, quatro destes SNPs tamb??m sofreram altera????es de flexibilidade, possivelmente resultando em altera????es funcionais.Submitted by Sara Ribeiro (sara.ribeiro@ucb.br) on 2017-06-21T18:51:44Z No. of bitstreams: 1 AntonioCarlosSilveiraMarcolinoDissertacao2016.pdf: 6156292 bytes, checksum: d429c57126e7bc2351ea9c3c48c300ab (MD5)Approved for entry into archive by Sara Ribeiro (sara.ribeiro@ucb.br) on 2017-06-21T18:51:54Z (GMT) No. of bitstreams: 1 AntonioCarlosSilveiraMarcolinoDissertacao2016.pdf: 6156292 bytes, checksum: d429c57126e7bc2351ea9c3c48c300ab (MD5)Made available in DSpace on 2017-06-21T18:51:54Z (GMT). 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dc.title.por.fl_str_mv An??lise do impacto estrutural de polimorfismos de base ??nica n??o-sin??nimos (nsSNPs) presentes no gene da uroguanilina mediante simula????es por din??mica molecular de longa dura????o
title An??lise do impacto estrutural de polimorfismos de base ??nica n??o-sin??nimos (nsSNPs) presentes no gene da uroguanilina mediante simula????es por din??mica molecular de longa dura????o
spellingShingle An??lise do impacto estrutural de polimorfismos de base ??nica n??o-sin??nimos (nsSNPs) presentes no gene da uroguanilina mediante simula????es por din??mica molecular de longa dura????o
Marcolino, Antonio Carlos Silveira
Pept??deos
Din??mica molecular
CNPQ::CIENCIAS BIOLOGICAS::GENETICA
title_short An??lise do impacto estrutural de polimorfismos de base ??nica n??o-sin??nimos (nsSNPs) presentes no gene da uroguanilina mediante simula????es por din??mica molecular de longa dura????o
title_full An??lise do impacto estrutural de polimorfismos de base ??nica n??o-sin??nimos (nsSNPs) presentes no gene da uroguanilina mediante simula????es por din??mica molecular de longa dura????o
title_fullStr An??lise do impacto estrutural de polimorfismos de base ??nica n??o-sin??nimos (nsSNPs) presentes no gene da uroguanilina mediante simula????es por din??mica molecular de longa dura????o
title_full_unstemmed An??lise do impacto estrutural de polimorfismos de base ??nica n??o-sin??nimos (nsSNPs) presentes no gene da uroguanilina mediante simula????es por din??mica molecular de longa dura????o
title_sort An??lise do impacto estrutural de polimorfismos de base ??nica n??o-sin??nimos (nsSNPs) presentes no gene da uroguanilina mediante simula????es por din??mica molecular de longa dura????o
author Marcolino, Antonio Carlos Silveira
author_facet Marcolino, Antonio Carlos Silveira
author_role author
dc.contributor.advisor1.fl_str_mv Alencar, S??rgio Amorim de
dc.contributor.advisor1Lattes.fl_str_mv http://lattes.cnpq.br/7981398735404589
dc.contributor.authorLattes.fl_str_mv http://lattes.cnpq.br/6544021500526945
dc.contributor.author.fl_str_mv Marcolino, Antonio Carlos Silveira
contributor_str_mv Alencar, S??rgio Amorim de
dc.subject.por.fl_str_mv Pept??deos
Din??mica molecular
topic Pept??deos
Din??mica molecular
CNPQ::CIENCIAS BIOLOGICAS::GENETICA
dc.subject.cnpq.fl_str_mv CNPQ::CIENCIAS BIOLOGICAS::GENETICA
dc.description.abstract.eng.fl_txt_mv The guanylate cyclase activator 2B, also known as uroguanylin, is part of the guanylin peptide family, which includes peptides such as guanylin and lymphoguanylin. The guanylin peptides are related to sodium absorption inhibition and water secretion induction. Uroguanylin may be related to various pathologies such as chronic renal failure, congestive heart failure and nephrotic syndrome. Uroguanylin mutations have already been associated with essential hypertension. However, there are no studies on the structural changes in the uroguanylin???s protein that used single nucleotide polymorphisms through the use of molecular dynamics simulations. This study used 16 in silico SNP impact prediction tools to evaluate non synonymous SNPs and to select mutations considered as convergent deleterious, which were further analyzed through long time molecular dynamics simulations of 1 microsecond of duration. The results of the molecular dynamics simulations suggest that all SNPs considered as convergent deleterious suffered some kind of structural change, however, four of these nsSNPs have also undergone flexibility changes, possibly resulting in functional changes.
dc.description.abstract.por.fl_txt_mv O ativador guanilato ciclase 2B, tamb??m conhecido como uroguanilina, faz parte da fam??lia de pept??deos da guanilina, a qual inclui pept??deos como a guanilina e a linfoguanilina. Os pept??deos da guanilina est??o ligados ?? inibi????o da absor????o de s??dio e indu????o da secre????o de ??gua. A disfun????o da uroguanilina est?? relacionada ao desenvolvimento de v??rias patologias, como insufici??ncia renal cr??nica, insufici??ncia card??aca congestiva e s??ndrome nefr??tica. Muta????es na uroguanilina tamb??m j?? foram associadas ?? hipertens??o essencial. Entretanto, n??o existem estudos sobre a utiliza????o de simula????es por din??mica molecular para avaliar o impacto estrutural causado por nsSNPs presentes no gene codificador da prote??na uroguanilina. Este estudo utilizou 16 ferramentas in silico de predi????o de impacto de nsSNPs para filtrar nsSNPs convergentes delet??rios para posterior an??lise por simula????es por din??mica molecular de longa dura????o (1 microssegundo de dura????o). Os resultados das simula????es por din??mica molecular sugerem que todos os nsSNPs considerados como convergentes delet??rios sofreram algum tipo de altera????o estrutural, por??m, quatro destes SNPs tamb??m sofreram altera????es de flexibilidade, possivelmente resultando em altera????es funcionais.
description The guanylate cyclase activator 2B, also known as uroguanylin, is part of the guanylin peptide family, which includes peptides such as guanylin and lymphoguanylin. The guanylin peptides are related to sodium absorption inhibition and water secretion induction. Uroguanylin may be related to various pathologies such as chronic renal failure, congestive heart failure and nephrotic syndrome. Uroguanylin mutations have already been associated with essential hypertension. However, there are no studies on the structural changes in the uroguanylin???s protein that used single nucleotide polymorphisms through the use of molecular dynamics simulations. This study used 16 in silico SNP impact prediction tools to evaluate non synonymous SNPs and to select mutations considered as convergent deleterious, which were further analyzed through long time molecular dynamics simulations of 1 microsecond of duration. The results of the molecular dynamics simulations suggest that all SNPs considered as convergent deleterious suffered some kind of structural change, however, four of these nsSNPs have also undergone flexibility changes, possibly resulting in functional changes.
publishDate 2016
dc.date.issued.fl_str_mv 2016-03-29
dc.date.accessioned.fl_str_mv 2017-06-21T18:51:54Z
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dc.identifier.citation.fl_str_mv MARCOLINO, Antonio Carlos Silveira. An??lise do impacto estrutural de polimorfismos de base ??nica n??o-sin??nimos (nsSNPs) presentes no gene da uroguanilina mediante simula????es por din??mica molecular de longa dura????o. 2016. 111 f. Disserta????o (Programa Stricto Sensu em Ci??ncias Gen??micas e Biotecnologia) - Universidade Cat??lica de Bras??lia, Bras??lia, 2016.
dc.identifier.uri.fl_str_mv https://bdtd.ucb.br:8443/jspui/handle/tede/2163
identifier_str_mv MARCOLINO, Antonio Carlos Silveira. An??lise do impacto estrutural de polimorfismos de base ??nica n??o-sin??nimos (nsSNPs) presentes no gene da uroguanilina mediante simula????es por din??mica molecular de longa dura????o. 2016. 111 f. Disserta????o (Programa Stricto Sensu em Ci??ncias Gen??micas e Biotecnologia) - Universidade Cat??lica de Bras??lia, Bras??lia, 2016.
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