Intermolecular interaction of thiosemicarbazone derivatives to solvents and a potential Aedes aegypti target
| Autor(a) principal: | |
|---|---|
| Data de Publicação: | 2015 |
| Outros Autores: | , , , , , , , , |
| 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 |
| id |
CRUZ_e0b2c3e7574ba5173df82d8560a610d3 |
|---|---|
| oai_identifier_str |
oai:www.arca.fiocruz.br:icict/20531 |
| network_acronym_str |
CRUZ |
| network_name_str |
Repositório Institucional da FIOCRUZ (ARCA) |
| repository_id_str |
2135 |
| 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 interaction....pdfapplication/pdf1707386https://www.arca.fiocruz.br/bitstream/icict/20531/2/Silva%20JBP%20Intermolecular%20interaction....pdfe49c7270f17ddcc8977de457d98bbb43MD52TEXTSilva JBP Intermolecular interaction....pdf.txtSilva JBP Intermolecular interaction....pdf.txtExtracted texttext/plain40649https://www.arca.fiocruz.br/bitstream/icict/20531/3/Silva%20JBP%20Intermolecular%20interaction....pdf.txtd98dccf627c227d538e6bc0d35f6c819MD53icict/205312023-03-15 14:34:03.457oai:www.arca.fiocruz.br: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ório InstitucionalPUBhttps://www.arca.fiocruz.br/oai/requestrepositorio.arca@fiocruz.bropendoar:21352023-03-15T17:34:03Repositório Institucional da FIOCRUZ (ARCA) - Fundação Oswaldo Cruz (FIOCRUZ)false |
| 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 |
| language |
eng |
| dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
| eu_rights_str_mv |
openAccess |
| 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) |
| bitstream.url.fl_str_mv |
https://www.arca.fiocruz.br/bitstream/icict/20531/1/license.txt https://www.arca.fiocruz.br/bitstream/icict/20531/2/Silva%20JBP%20Intermolecular%20interaction....pdf https://www.arca.fiocruz.br/bitstream/icict/20531/3/Silva%20JBP%20Intermolecular%20interaction....pdf.txt |
| bitstream.checksum.fl_str_mv |
5a560609d32a3863062d77ff32785d58 e49c7270f17ddcc8977de457d98bbb43 d98dccf627c227d538e6bc0d35f6c819 |
| bitstream.checksumAlgorithm.fl_str_mv |
MD5 MD5 MD5 |
| repository.name.fl_str_mv |
Repositório Institucional da FIOCRUZ (ARCA) - Fundação Oswaldo Cruz (FIOCRUZ) |
| repository.mail.fl_str_mv |
repositorio.arca@fiocruz.br |
| _version_ |
1813009299247464448 |