Docking and physico-chemical properties of α- and β-cyclodextrin complex containing isopulegol: a comparative study
| Autor(a) principal: | |
|---|---|
| Data de Publicação: | 2016 |
| 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/15317 |
Resumo: | Universidade Federal de Sergipe. Departamento de Farmácia. São Cristóvão, SE, Brasil |
| id |
CRUZ_7da7c22b2d5ac9912515bd36228b09ff |
|---|---|
| oai_identifier_str |
oai:www.arca.fiocruz.br:icict/15317 |
| network_acronym_str |
CRUZ |
| network_name_str |
Repositório Institucional da FIOCRUZ (ARCA) |
| repository_id_str |
2135 |
| spelling |
Menezes, Paula dos PassosDória, Grace Anne AzevedoAraújo, Adriano Antunes de SouzaSousa, Bruna Maria HipólitoQuintans Júnior, Lucindo JoséLima, Rafaely NascimentoAlves, Péricles BarretoCarvalho, Flávio Machado SouzaBezerra, Daniel PereiraMendonça Júnior, Francisco Jaime BezerraScotti, LucianaScotti, Marcus TulliusSilva, Gabriel Francisco daAquino, Thiago Mendonça deSabino, Adilson RodriguesEgito, Eryvaldo Socrates Tabosa doSerafini, Mairim Russo2016-08-22T14:10:32Z2016-08-22T14:10:32Z2016MENEZES, P. P. et al. Docking and physico-chemical properties of α- and β-cyclodextrin complex containing isopulegol: a comparative study. Journal of Inclusion Phenomena and Macrocyclic Chemistry, 16 jun. 2016.0923-0750https://www.arca.fiocruz.br/handle/icict/15317engSpringer VerlagDocking and physico-chemical properties of α- and β-cyclodextrin complex containing isopulegol: a comparative studyinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleUniversidade Federal de Sergipe. Departamento de Farmácia. São Cristóvão, SE, BrasilUniversidade Federal de Sergipe. Departamento de Farmácia. São Cristóvão, SE, BrasilUniversidade Federal de Sergipe. Departamento de Farmácia. São Cristóvão, SE, BrasilUniversidade Federal de Sergipe. Departamento de Farmácia. São Cristóvão, SE, BrasilUniversidade Federal de Sergipe. Departamento de Fisiologia. São Cristóvão, SE, BrasilUniversidade Federal de Sergipe. Departamento de Química. São Cristóvão, SE, BrasilUniversidade Federal de Sergipe. Departamento de Química. São Cristóvão, SE, BrasilUniversidade Federal de Sergipe. Departamento de Mineralogia e Geotectônica. São Cristóvão, SE, BrasilFundação Oswaldo Cruz. Centro de Pesquisas Gonçalo Moniz. Salvador, BA, BrasilUniversidade Estadual da Paraíba. Laboratório de Síntese e Vetorização de Moléculas. Campina Grande, PB, BrasilUniversidade Federal da Paraíba. Campina Grande, PB, BrasilUniversidade Federal da Paraíba. Departamento de Engenharia e Ambiente. Campina Grande, PB, BrasilUniversidade Federal de Sergipe. Departamento de Engenharia Química. São Cristóvão, SE, BrasilUniversidade Federal de Alagoas. Laboratório de Ressonância Magnética Nuclear. Maceió, AL, BrasilUniversidade Federal de Alagoas. Laboratório de Ressonância Magnética Nuclear. Maceió, AL, BrasilUniversidade Federal do Rio Grande do Norte. Departamento de Farmácia. Natal, RGNorte, BrasilUniversidade Federal de Sergipe. Departamento de Farmácia. São Cristóvão, SE, BrasilIsopulegol (ISOP) is a monoterpenoid alcohol presented in the essential oils of several plants that possesses therapeutic properties The aim of this work was prepare samples with ISOP and α- and β-cyclodextrins (α- and β-CD) through three different methods: physical mixture, paste method (PC) and slurry complexation (SC). In order to evaluate the formation of inclusion complexes, the techniques of differential scanning calorimetry, thermogravimetry/derivative thermogravimetry, fourier transform infrared spectroscopy, X-ray diffractometry (XRD), gas chromatography–mass spectrometry analyses (GC/MS), docking, nuclear magnetic resonance and scanning electron microscopy were considered. The analyses of the α-CD or β-CD/ISOP revealed the formation of a complex mainly through the PC and SC methods for α-CD and β-CD, respectively. XRD diffraction characteristics presented formation of a trend to new solid phase, which suggested the formation of inclusion complexes. The GC/MS demonstrated that the PC method was the best one to form complexation with α-CD (48.8 %). Concerning β-CD, the SC method exhibited the strongest complexation (68.3 %). Furthermore, the molecular theoretical docking study demonstrated that α-CD/ISOP inclusion complex formed a more stable complex than did the β-CD/ISOP inclusion complex.CyclodextrinInclusion complexesIsopulegolMonoterpenoidinfo: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/15317/1/license.txt5a560609d32a3863062d77ff32785d58MD51ORIGINALMenezes PP Docking and physico....pdfMenezes PP Docking and physico....pdfapplication/pdf12854402https://www.arca.fiocruz.br/bitstream/icict/15317/2/Menezes%20PP%20Docking%20and%20physico....pdf419d9e1de1f210c3875e46869e7262baMD52TEXTMenezes PP Docking and physico....pdf.txtMenezes PP Docking and physico....pdf.txtExtracted texttext/plain14https://www.arca.fiocruz.br/bitstream/icict/15317/3/Menezes%20PP%20Docking%20and%20physico....pdf.txt06b7e51e8fc077b8c75076712e4dd2b3MD53icict/153172023-03-15 14:33:20.248oai:www.arca.fiocruz.br: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ório InstitucionalPUBhttps://www.arca.fiocruz.br/oai/requestrepositorio.arca@fiocruz.bropendoar:21352023-03-15T17:33:20Repositório Institucional da FIOCRUZ (ARCA) - Fundação Oswaldo Cruz (FIOCRUZ)false |
| dc.title.pt_BR.fl_str_mv |
Docking and physico-chemical properties of α- and β-cyclodextrin complex containing isopulegol: a comparative study |
| title |
Docking and physico-chemical properties of α- and β-cyclodextrin complex containing isopulegol: a comparative study |
| spellingShingle |
Docking and physico-chemical properties of α- and β-cyclodextrin complex containing isopulegol: a comparative study Menezes, Paula dos Passos Cyclodextrin Inclusion complexes Isopulegol Monoterpenoid |
| title_short |
Docking and physico-chemical properties of α- and β-cyclodextrin complex containing isopulegol: a comparative study |
| title_full |
Docking and physico-chemical properties of α- and β-cyclodextrin complex containing isopulegol: a comparative study |
| title_fullStr |
Docking and physico-chemical properties of α- and β-cyclodextrin complex containing isopulegol: a comparative study |
| title_full_unstemmed |
Docking and physico-chemical properties of α- and β-cyclodextrin complex containing isopulegol: a comparative study |
| title_sort |
Docking and physico-chemical properties of α- and β-cyclodextrin complex containing isopulegol: a comparative study |
| author |
Menezes, Paula dos Passos |
| author_facet |
Menezes, Paula dos Passos Dória, Grace Anne Azevedo Araújo, Adriano Antunes de Souza Sousa, Bruna Maria Hipólito Quintans Júnior, Lucindo José Lima, Rafaely Nascimento Alves, Péricles Barreto Carvalho, Flávio Machado Souza Bezerra, Daniel Pereira Mendonça Júnior, Francisco Jaime Bezerra Scotti, Luciana Scotti, Marcus Tullius Silva, Gabriel Francisco da Aquino, Thiago Mendonça de Sabino, Adilson Rodrigues Egito, Eryvaldo Socrates Tabosa do Serafini, Mairim Russo |
| author_role |
author |
| author2 |
Dória, Grace Anne Azevedo Araújo, Adriano Antunes de Souza Sousa, Bruna Maria Hipólito Quintans Júnior, Lucindo José Lima, Rafaely Nascimento Alves, Péricles Barreto Carvalho, Flávio Machado Souza Bezerra, Daniel Pereira Mendonça Júnior, Francisco Jaime Bezerra Scotti, Luciana Scotti, Marcus Tullius Silva, Gabriel Francisco da Aquino, Thiago Mendonça de Sabino, Adilson Rodrigues Egito, Eryvaldo Socrates Tabosa do Serafini, Mairim Russo |
| author2_role |
author author author author author author author author author author author author author author author author |
| dc.contributor.author.fl_str_mv |
Menezes, Paula dos Passos Dória, Grace Anne Azevedo Araújo, Adriano Antunes de Souza Sousa, Bruna Maria Hipólito Quintans Júnior, Lucindo José Lima, Rafaely Nascimento Alves, Péricles Barreto Carvalho, Flávio Machado Souza Bezerra, Daniel Pereira Mendonça Júnior, Francisco Jaime Bezerra Scotti, Luciana Scotti, Marcus Tullius Silva, Gabriel Francisco da Aquino, Thiago Mendonça de Sabino, Adilson Rodrigues Egito, Eryvaldo Socrates Tabosa do Serafini, Mairim Russo |
| dc.subject.en.pt_BR.fl_str_mv |
Cyclodextrin Inclusion complexes Isopulegol Monoterpenoid |
| topic |
Cyclodextrin Inclusion complexes Isopulegol Monoterpenoid |
| description |
Universidade Federal de Sergipe. Departamento de Farmácia. São Cristóvão, SE, Brasil |
| publishDate |
2016 |
| dc.date.accessioned.fl_str_mv |
2016-08-22T14:10:32Z |
| dc.date.available.fl_str_mv |
2016-08-22T14:10:32Z |
| dc.date.issued.fl_str_mv |
2016 |
| 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 |
MENEZES, P. P. et al. Docking and physico-chemical properties of α- and β-cyclodextrin complex containing isopulegol: a comparative study. Journal of Inclusion Phenomena and Macrocyclic Chemistry, 16 jun. 2016. |
| dc.identifier.uri.fl_str_mv |
https://www.arca.fiocruz.br/handle/icict/15317 |
| dc.identifier.issn.pt_BR.fl_str_mv |
0923-0750 |
| identifier_str_mv |
MENEZES, P. P. et al. Docking and physico-chemical properties of α- and β-cyclodextrin complex containing isopulegol: a comparative study. Journal of Inclusion Phenomena and Macrocyclic Chemistry, 16 jun. 2016. 0923-0750 |
| url |
https://www.arca.fiocruz.br/handle/icict/15317 |
| 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 |
Springer Verlag |
| publisher.none.fl_str_mv |
Springer Verlag |
| 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/15317/1/license.txt https://www.arca.fiocruz.br/bitstream/icict/15317/2/Menezes%20PP%20Docking%20and%20physico....pdf https://www.arca.fiocruz.br/bitstream/icict/15317/3/Menezes%20PP%20Docking%20and%20physico....pdf.txt |
| bitstream.checksum.fl_str_mv |
5a560609d32a3863062d77ff32785d58 419d9e1de1f210c3875e46869e7262ba 06b7e51e8fc077b8c75076712e4dd2b3 |
| 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_ |
1798324675444473856 |