Virtual Screening, Selection and Molecular Dynamics of Protein Inhibitors N-myristoyltransferase (NMT) in Plasmodium vivax

Detalhes bibliográficos
Autor(a) principal: Marques, Pedro Serafim
Data de Publicação: 2018
Tipo de documento: Trabalho de conclusão de curso
Idioma: eng
Título da fonte: Repositório Institucional da UFU
Texto Completo: https://repositorio.ufu.br/handle/123456789/24695
Resumo: CNPq - Conselho Nacional de Desenvolvimento Científico e Tecnológico
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spelling 2019-03-26T19:48:55Z2019-03-26T19:48:55Z2018-12-11MARQUES, Pedro Serafim. Virtual Screening, Selection and Molecular Dynamics of Protein Inhibitors N-myristoyltransferase (NMT) in Plasmodium vivax. 2018. 55f. Trabalho de Conclusão de Curso (Graduação em Biotecnologia) - Universidade Federal de Uberlândia, Uberlândia 2018.https://repositorio.ufu.br/handle/123456789/24695CNPq - Conselho Nacional de Desenvolvimento Científico e TecnológicoTrabalho de Conclusão de Curso (Graduação)Malaria is one of several neglected diseases characterized by parasitic infection of global importance present in tropical countries. Malaria is caused by protozoa, belonging the genus Plasmodium and the vector for the transmission of the disease are female of the Anopheles mosquitoes infected with the Plasmodium ssp. According the World Health Organization (WHO), there was 219 million malaria cases worldwide in 2017, and approximately 435 000 malaria deaths in the same year. The increasing resistance to treatment has posed a major problem since the beginning of the 21st century, and with this, new research has been done with the intention of finding a new drug to be used for the eradication of the disease. A new protein has been studied as a potential target drug in malaria, N-myristoyltransferase (NMT), and the NMT acts on myristoylation of proteins, facilitating the binding of these to the plasma membrane and also contributes to the stabilization of protein-protein interactions. By inhibiting NMT it has already been established that the cell of the parasite can be killed. Therefore, in order to predict and detect potential inhibitors against Plasmodium NMT, the bioinformatic tools were used in this work, encompassing the virtual screening, docking, validation and molecular dynamics. With the analysis performed during the work it was possible to obtain compounds with great similarity to the original ligand, thus being good potential inhibitors of Plasmodium NMT.engUniversidade Federal de UberlândiaBiotecnologiaBrasilCNPQ::CIENCIAS BIOLOGICAS::PARASITOLOGIA::PROTOZOOLOGIA DE PARASITOSMalariaNMTPlasmodiumVirtual Screening, Selection and Molecular Dynamics of Protein Inhibitors N-myristoyltransferase (NMT) in Plasmodium vivaxinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/bachelorThesisNicolau Junior, Nilsonhttp://lattes.cnpq.br/0821186870496558Morandi Filho, RomualdoCariaco, Yusmarishttp://lattes.cnpq.br/3811549393555890Marques, Pedro Serafim55info:eu-repo/semantics/openAccessreponame:Repositório Institucional da UFUinstname:Universidade Federal de Uberlândia (UFU)instacron:UFULICENSElicense.txtlicense.txttext/plain; charset=utf-81792https://repositorio.ufu.br/bitstream/123456789/24695/2/license.txt48ded82ce41b8d2426af12aed6b3cbf3MD52ORIGINALVirtualScreeningSelection.pdfVirtualScreeningSelection.pdfapplication/pdf4575796https://repositorio.ufu.br/bitstream/123456789/24695/3/VirtualScreeningSelection.pdf7e15c8a5fcfb56e1af4be305668be7cfMD53TEXTVirtualScreeningSelection.pdf.txtVirtualScreeningSelection.pdf.txtExtracted texttext/plain56024https://repositorio.ufu.br/bitstream/123456789/24695/4/VirtualScreeningSelection.pdf.txt0fb786ef494c3be88a50ce03a7428696MD54THUMBNAILVirtualScreeningSelection.pdf.jpgVirtualScreeningSelection.pdf.jpgGenerated Thumbnailimage/jpeg957https://repositorio.ufu.br/bitstream/123456789/24695/5/VirtualScreeningSelection.pdf.jpg5236f38619ae77f31ba8d1a45e2e1cb7MD55123456789/246952021-09-23 16:19:51.495oai:repositorio.ufu.br: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Repositório InstitucionalONGhttp://repositorio.ufu.br/oai/requestdiinf@dirbi.ufu.bropendoar:2021-09-23T19:19:51Repositório Institucional da UFU - Universidade Federal de Uberlândia (UFU)false
dc.title.pt_BR.fl_str_mv Virtual Screening, Selection and Molecular Dynamics of Protein Inhibitors N-myristoyltransferase (NMT) in Plasmodium vivax
title Virtual Screening, Selection and Molecular Dynamics of Protein Inhibitors N-myristoyltransferase (NMT) in Plasmodium vivax
spellingShingle Virtual Screening, Selection and Molecular Dynamics of Protein Inhibitors N-myristoyltransferase (NMT) in Plasmodium vivax
Marques, Pedro Serafim
CNPQ::CIENCIAS BIOLOGICAS::PARASITOLOGIA::PROTOZOOLOGIA DE PARASITOS
Malaria
NMT
Plasmodium
title_short Virtual Screening, Selection and Molecular Dynamics of Protein Inhibitors N-myristoyltransferase (NMT) in Plasmodium vivax
title_full Virtual Screening, Selection and Molecular Dynamics of Protein Inhibitors N-myristoyltransferase (NMT) in Plasmodium vivax
title_fullStr Virtual Screening, Selection and Molecular Dynamics of Protein Inhibitors N-myristoyltransferase (NMT) in Plasmodium vivax
title_full_unstemmed Virtual Screening, Selection and Molecular Dynamics of Protein Inhibitors N-myristoyltransferase (NMT) in Plasmodium vivax
title_sort Virtual Screening, Selection and Molecular Dynamics of Protein Inhibitors N-myristoyltransferase (NMT) in Plasmodium vivax
author Marques, Pedro Serafim
author_facet Marques, Pedro Serafim
author_role author
dc.contributor.advisor1.fl_str_mv Nicolau Junior, Nilson
dc.contributor.advisor1Lattes.fl_str_mv http://lattes.cnpq.br/0821186870496558
dc.contributor.referee1.fl_str_mv Morandi Filho, Romualdo
dc.contributor.referee2.fl_str_mv Cariaco, Yusmaris
dc.contributor.authorLattes.fl_str_mv http://lattes.cnpq.br/3811549393555890
dc.contributor.author.fl_str_mv Marques, Pedro Serafim
contributor_str_mv Nicolau Junior, Nilson
Morandi Filho, Romualdo
Cariaco, Yusmaris
dc.subject.cnpq.fl_str_mv CNPQ::CIENCIAS BIOLOGICAS::PARASITOLOGIA::PROTOZOOLOGIA DE PARASITOS
topic CNPQ::CIENCIAS BIOLOGICAS::PARASITOLOGIA::PROTOZOOLOGIA DE PARASITOS
Malaria
NMT
Plasmodium
dc.subject.por.fl_str_mv Malaria
NMT
Plasmodium
description CNPq - Conselho Nacional de Desenvolvimento Científico e Tecnológico
publishDate 2018
dc.date.issued.fl_str_mv 2018-12-11
dc.date.accessioned.fl_str_mv 2019-03-26T19:48:55Z
dc.date.available.fl_str_mv 2019-03-26T19:48:55Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/bachelorThesis
format bachelorThesis
status_str publishedVersion
dc.identifier.citation.fl_str_mv MARQUES, Pedro Serafim. Virtual Screening, Selection and Molecular Dynamics of Protein Inhibitors N-myristoyltransferase (NMT) in Plasmodium vivax. 2018. 55f. Trabalho de Conclusão de Curso (Graduação em Biotecnologia) - Universidade Federal de Uberlândia, Uberlândia 2018.
dc.identifier.uri.fl_str_mv https://repositorio.ufu.br/handle/123456789/24695
identifier_str_mv MARQUES, Pedro Serafim. Virtual Screening, Selection and Molecular Dynamics of Protein Inhibitors N-myristoyltransferase (NMT) in Plasmodium vivax. 2018. 55f. Trabalho de Conclusão de Curso (Graduação em Biotecnologia) - Universidade Federal de Uberlândia, Uberlândia 2018.
url https://repositorio.ufu.br/handle/123456789/24695
dc.language.iso.fl_str_mv eng
language eng
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv Universidade Federal de Uberlândia
Biotecnologia
dc.publisher.country.fl_str_mv Brasil
publisher.none.fl_str_mv Universidade Federal de Uberlândia
Biotecnologia
dc.source.none.fl_str_mv reponame:Repositório Institucional da UFU
instname:Universidade Federal de Uberlândia (UFU)
instacron:UFU
instname_str Universidade Federal de Uberlândia (UFU)
instacron_str UFU
institution UFU
reponame_str Repositório Institucional da UFU
collection Repositório Institucional da UFU
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repository.mail.fl_str_mv diinf@dirbi.ufu.br
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