Intermolecular interaction of thiosemicarbazone derivatives to solvents and a potential Aedes aegypti target

Detalhes bibliográficos
Autor(a) principal: Silva, João Bosco Paraiso da
Data de Publicação: 2015
Outros Autores: Hallwass, Fernando, Silva, Aluizio Galdino da, Moreira, Diogo Rodrigo de Magalhães, Ramos, Mozart Neves, Espíndola, José Wanderlan Pontes, Oliveira, Ana Daura Travassos de, Brondani, Dalci José, Leite, Ana Cristina Lima, Merz Junior, Kenneth M
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da FIOCRUZ (ARCA)
Texto Completo: https://www.arca.fiocruz.br/handle/icict/20531
Resumo: FACEPE/CNPq/PRONEX, FACEPE/PPSUS-2008 and Dengue Institute/CNPq
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spelling Silva, João Bosco Paraiso daHallwass, FernandoSilva, Aluizio Galdino daMoreira, Diogo Rodrigo de MagalhãesRamos, Mozart NevesEspíndola, José Wanderlan PontesOliveira, Ana Daura Travassos deBrondani, Dalci JoséLeite, Ana Cristina LimaMerz Junior, Kenneth M2017-08-07T17:03:46Z2017-08-07T17:03:46Z2015SILVA, J. B. P. et al. Intermolecular interaction of thiosemicarbazone derivatives to solvents and a potential Aedes aegypti target. Journal of Molecular Structure, v. 1093, p. 219–227, 2015.0022-2860https://www.arca.fiocruz.br/handle/icict/20531FACEPE/CNPq/PRONEX, FACEPE/PPSUS-2008 and Dengue Institute/CNPqUniversidade Federal de Pernambuco. Centro de Ciências Exatas e da Natureza. Departamento de Química Fundamental. Recife, PE, BrasilUniversidade Federal de Pernambuco. Centro de Ciências Exatas e da Natureza. Departamento de Química Fundamental. Recife, PE, BrasilUniversidade Federal de Pernambuco. Centro de Ciências Exatas e da Natureza. Departamento de Química Fundamental. Recife, PE, BrasilUniversidade Federal de Pernambuco. Centro de Ciências Exatas e da Natureza. Departamento de Química Fundamental. Recife, PE, Brasil / Fundação Oswaldo Cruz. Centro de Pesquisas Gonçalo Moniz. Salvador, BA, BrasilUniversidade Federal de Pernambuco. Centro de Ciências Exatas e da Natureza. Departamento de Química Fundamental. Recife, PE, BrasilUniversidade Federal de Pernambuco. Centro de Ciências da Saúde. Departamento de Ciências Farmacêuticas. Recife, PE, BrasilUniversidade Federal de Pernambuco. Centro de Ciências da Saúde. Departamento de Ciências Farmacêuticas. Recife, PE, BrasilUniversidade Federal de Pernambuco. Centro de Ciências da Saúde. Departamento de Ciências Farmacêuticas. Recife, PE, BrasilUniversidade Federal de Pernambuco. Centro de Ciências da Saúde. Departamento de Ciências Farmacêuticas. Recife, PE, BrasilUniversity of Florida. Quantum Theory Project. Gainesville, FL, USADFT calculations were used to access information about structure, energy and electronic properties of series of phenyl- and phenoxymethyl-(thio)semicarbazone derivatives with demonstrated activity against the larvae of Aedes aegypti in stage L4. The way as the thiosemicarbazone derivatives can interact with solvents like DMSO and water were analyzed from the comparison between calculated and experimental 1H NMR chemical shifts. The evidences of thiosemicarbazone derivatives making H-bond interaction to solvent have provide us insights on how they can interact with a potential A. aegypti’s biological target, the Sterol Carrier Protein-2.engElsevierThiosemicarbazoneIntermolecularSolventeAedes aegyptiThiosemicarbazoneIntermolecular interactionSolventAedes aegyptiAeSCP-2DFTIntermolecular interaction of thiosemicarbazone derivatives to solvents and a potential Aedes aegypti targetinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleinfo:eu-repo/semantics/openAccessreponame:Repositório Institucional da FIOCRUZ (ARCA)instname:Fundação Oswaldo Cruz (FIOCRUZ)instacron:FIOCRUZLICENSElicense.txtlicense.txttext/plain; charset=utf-82991https://www.arca.fiocruz.br/bitstream/icict/20531/1/license.txt5a560609d32a3863062d77ff32785d58MD51ORIGINALSilva JBP Intermolecular interaction....pdfSilva JBP Intermolecular 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dc.title.pt_BR.fl_str_mv Intermolecular interaction of thiosemicarbazone derivatives to solvents and a potential Aedes aegypti target
title Intermolecular interaction of thiosemicarbazone derivatives to solvents and a potential Aedes aegypti target
spellingShingle Intermolecular interaction of thiosemicarbazone derivatives to solvents and a potential Aedes aegypti target
Silva, João Bosco Paraiso da
Thiosemicarbazone
Intermolecular
Solvente
Aedes aegypti
Thiosemicarbazone
Intermolecular interaction
Solvent
Aedes aegypti
AeSCP-2
DFT
title_short Intermolecular interaction of thiosemicarbazone derivatives to solvents and a potential Aedes aegypti target
title_full Intermolecular interaction of thiosemicarbazone derivatives to solvents and a potential Aedes aegypti target
title_fullStr Intermolecular interaction of thiosemicarbazone derivatives to solvents and a potential Aedes aegypti target
title_full_unstemmed Intermolecular interaction of thiosemicarbazone derivatives to solvents and a potential Aedes aegypti target
title_sort Intermolecular interaction of thiosemicarbazone derivatives to solvents and a potential Aedes aegypti target
author Silva, João Bosco Paraiso da
author_facet Silva, João Bosco Paraiso da
Hallwass, Fernando
Silva, Aluizio Galdino da
Moreira, Diogo Rodrigo de Magalhães
Ramos, Mozart Neves
Espíndola, José Wanderlan Pontes
Oliveira, Ana Daura Travassos de
Brondani, Dalci José
Leite, Ana Cristina Lima
Merz Junior, Kenneth M
author_role author
author2 Hallwass, Fernando
Silva, Aluizio Galdino da
Moreira, Diogo Rodrigo de Magalhães
Ramos, Mozart Neves
Espíndola, José Wanderlan Pontes
Oliveira, Ana Daura Travassos de
Brondani, Dalci José
Leite, Ana Cristina Lima
Merz Junior, Kenneth M
author2_role author
author
author
author
author
author
author
author
author
dc.contributor.author.fl_str_mv Silva, João Bosco Paraiso da
Hallwass, Fernando
Silva, Aluizio Galdino da
Moreira, Diogo Rodrigo de Magalhães
Ramos, Mozart Neves
Espíndola, José Wanderlan Pontes
Oliveira, Ana Daura Travassos de
Brondani, Dalci José
Leite, Ana Cristina Lima
Merz Junior, Kenneth M
dc.subject.other.pt_BR.fl_str_mv Thiosemicarbazone
Intermolecular
Solvente
Aedes aegypti
topic Thiosemicarbazone
Intermolecular
Solvente
Aedes aegypti
Thiosemicarbazone
Intermolecular interaction
Solvent
Aedes aegypti
AeSCP-2
DFT
dc.subject.en.pt_BR.fl_str_mv Thiosemicarbazone
Intermolecular interaction
Solvent
Aedes aegypti
AeSCP-2
DFT
description FACEPE/CNPq/PRONEX, FACEPE/PPSUS-2008 and Dengue Institute/CNPq
publishDate 2015
dc.date.issued.fl_str_mv 2015
dc.date.accessioned.fl_str_mv 2017-08-07T17:03:46Z
dc.date.available.fl_str_mv 2017-08-07T17:03:46Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.citation.fl_str_mv SILVA, J. B. P. et al. Intermolecular interaction of thiosemicarbazone derivatives to solvents and a potential Aedes aegypti target. Journal of Molecular Structure, v. 1093, p. 219–227, 2015.
dc.identifier.uri.fl_str_mv https://www.arca.fiocruz.br/handle/icict/20531
dc.identifier.issn.pt_BR.fl_str_mv 0022-2860
identifier_str_mv SILVA, J. B. P. et al. Intermolecular interaction of thiosemicarbazone derivatives to solvents and a potential Aedes aegypti target. Journal of Molecular Structure, v. 1093, p. 219–227, 2015.
0022-2860
url https://www.arca.fiocruz.br/handle/icict/20531
dc.language.iso.fl_str_mv eng
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dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
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dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
dc.source.none.fl_str_mv reponame:Repositório Institucional da FIOCRUZ (ARCA)
instname:Fundação Oswaldo Cruz (FIOCRUZ)
instacron:FIOCRUZ
instname_str Fundação Oswaldo Cruz (FIOCRUZ)
instacron_str FIOCRUZ
institution FIOCRUZ
reponame_str Repositório Institucional da FIOCRUZ (ARCA)
collection Repositório Institucional da FIOCRUZ (ARCA)
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