Estudo de modelagem molecular de complexos ferriprotoporfirina-IX e quinolinocarbinolaminas antimaláricas: proposta de um farmacóforo
| Autor(a) principal: | |
|---|---|
| Data de Publicação: | 2005 |
| Outros Autores: | , , , |
| Tipo de documento: | Artigo |
| Idioma: | por |
| Título da fonte: | Repositório Institucional da UFJF |
| Texto Completo: | http://dx.doi.org/10.1590/S0100-40422005000200015 https://repositorio.ufjf.br/jspui/handle/ufjf/9056 |
Resumo: | - |
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2019-02-15T16:21:57Z2019-02-152019-02-15T16:21:57Z2005-04282244249http://dx.doi.org/10.1590/S0100-40422005000200015https://repositorio.ufjf.br/jspui/handle/ufjf/9056-Quinine and quinidine are well-known 4-quinolinecarbinolamines that exhibit antimalarial activity, but, in contrast, their epimers 9-epiquinine and 9-epiquinidine are almost inactive. Literature data are conflicting in describing the 4-quinolinecarbinolamine interaction mode with the molecular target, the ferriprotoporphyrin IX [Fe(III)PPIX]. In the present paper, a pharmacophore is proposed based on the binding of the non-aromatic nitrogen to the iron atom. The 4-quinolinecarbinolamine antimalarials were superimposed on the pharmacophore under consideration and complexes with Fe(III)PPIX were constructed. Conformational analyses of the complexes were performed applying the MM+ molecular mechanics method. The analysis of the complexes showed that the proposed ligand mode is possible although it does not explain the activity differences between epimers. A discussion of the structural aspects is also provided.por--BrasilQuímica Nova-AntimalarialQuininePharmacophoreEstudo de modelagem molecular de complexos ferriprotoporfirina-IX e quinolinocarbinolaminas antimaláricas: proposta de um farmacóforoMolecular modeling study of complexes between ferriprotoporphyrin IX and antimalarial 4-quinolinecarbinolamines: a proposal of pharmacophoreinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleSilva, Thais Horta Álvares daOliveira, Marcelo Tavares deSantos, Hélio Ferreira dosOliveira, Alaíde Braga deAlmeida, Wagner Batista deinfo:eu-repo/semantics/openAccessreponame:Repositório Institucional da UFJFinstname:Universidade Federal de Juiz de Fora (UFJF)instacron:UFJFTHUMBNAILEstudo de modelagem molecular de complexos ferriprotoporfirina-IX.pdf.jpgEstudo de modelagem molecular de complexos ferriprotoporfirina-IX.pdf.jpgGenerated Thumbnailimage/jpeg1601https://repositorio.ufjf.br/jspui/bitstream/ufjf/9056/4/Estudo%20de%20modelagem%20molecular%20de%20complexos%20ferriprotoporfirina-IX.pdf.jpg6cfe3509bfc0ee338ca1a92cd4c008b6MD54LICENSElicense.txtlicense.txttext/plain; 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| dc.title.pt_BR.fl_str_mv |
Estudo de modelagem molecular de complexos ferriprotoporfirina-IX e quinolinocarbinolaminas antimaláricas: proposta de um farmacóforo |
| dc.title.alternative.pt_BR.fl_str_mv |
Molecular modeling study of complexes between ferriprotoporphyrin IX and antimalarial 4-quinolinecarbinolamines: a proposal of pharmacophore |
| title |
Estudo de modelagem molecular de complexos ferriprotoporfirina-IX e quinolinocarbinolaminas antimaláricas: proposta de um farmacóforo |
| spellingShingle |
Estudo de modelagem molecular de complexos ferriprotoporfirina-IX e quinolinocarbinolaminas antimaláricas: proposta de um farmacóforo Silva, Thais Horta Álvares da - Antimalarial Quinine Pharmacophore |
| title_short |
Estudo de modelagem molecular de complexos ferriprotoporfirina-IX e quinolinocarbinolaminas antimaláricas: proposta de um farmacóforo |
| title_full |
Estudo de modelagem molecular de complexos ferriprotoporfirina-IX e quinolinocarbinolaminas antimaláricas: proposta de um farmacóforo |
| title_fullStr |
Estudo de modelagem molecular de complexos ferriprotoporfirina-IX e quinolinocarbinolaminas antimaláricas: proposta de um farmacóforo |
| title_full_unstemmed |
Estudo de modelagem molecular de complexos ferriprotoporfirina-IX e quinolinocarbinolaminas antimaláricas: proposta de um farmacóforo |
| title_sort |
Estudo de modelagem molecular de complexos ferriprotoporfirina-IX e quinolinocarbinolaminas antimaláricas: proposta de um farmacóforo |
| author |
Silva, Thais Horta Álvares da |
| author_facet |
Silva, Thais Horta Álvares da Oliveira, Marcelo Tavares de Santos, Hélio Ferreira dos Oliveira, Alaíde Braga de Almeida, Wagner Batista de |
| author_role |
author |
| author2 |
Oliveira, Marcelo Tavares de Santos, Hélio Ferreira dos Oliveira, Alaíde Braga de Almeida, Wagner Batista de |
| author2_role |
author author author author |
| dc.contributor.author.fl_str_mv |
Silva, Thais Horta Álvares da Oliveira, Marcelo Tavares de Santos, Hélio Ferreira dos Oliveira, Alaíde Braga de Almeida, Wagner Batista de |
| dc.subject.cnpq.fl_str_mv |
- |
| topic |
- Antimalarial Quinine Pharmacophore |
| dc.subject.por.fl_str_mv |
Antimalarial Quinine Pharmacophore |
| description |
- |
| publishDate |
2005 |
| dc.date.issued.fl_str_mv |
2005-04 |
| dc.date.accessioned.fl_str_mv |
2019-02-15T16:21:57Z |
| dc.date.available.fl_str_mv |
2019-02-15 2019-02-15T16:21:57Z |
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info:eu-repo/semantics/publishedVersion |
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info:eu-repo/semantics/article |
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article |
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publishedVersion |
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https://repositorio.ufjf.br/jspui/handle/ufjf/9056 |
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http://dx.doi.org/10.1590/S0100-40422005000200015 |
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http://dx.doi.org/10.1590/S0100-40422005000200015 https://repositorio.ufjf.br/jspui/handle/ufjf/9056 |
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por |
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por |
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Química Nova |
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info:eu-repo/semantics/openAccess |
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openAccess |
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- |
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Brasil |
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