Exploring structure-based drug design for the development of multi-target antihypertensives

Registro completo de metadados
MetadadosDescriçãoIdioma
Autor(es): dc.creatorMota, Estella G. da-
Autor(es): dc.creatorCunha, Elaine F. F. da-
Autor(es): dc.creatorFreitas, Matheus P.-
Data de aceite: dc.date.accessioned2026-02-09T11:14:55Z-
Data de disponibilização: dc.date.available2026-02-09T11:14:55Z-
Data de envio: dc.date.issued2020-07-12-
Data de envio: dc.date.issued2020-07-12-
Data de envio: dc.date.issued2015-
Fonte completa do material: dc.identifierhttps://repositorio.ufla.br/handle/1/41858-
Fonte completa do material: dc.identifierhttp://www.eurekaselect.com/129914/article-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/capes/1136802-
Descrição: dc.descriptionThis work reports the docking studies of compounds designed from the combination of substructures of three types of antihypertensives: angiotensin converting- enzyme (ACE) inhibitors, calcium channel blockers and renin inhibitors. Consequently, multi-target compounds are expected to be obtained. Indeed, a few purposes showed both docking scores and intermolecular ligand-enzyme interaction towards all three targets higher than the reference compounds Captopril (ACE inhibitor), Amlodipine (calcium channel blocker) and Aliskiren (renin inhibitor). Particularly, the proposed compound 18 (containing a phenyl group, a substituted dihydropyridine and a piperazinyl-like group as substituents at the indoline scaffold) is a promising ligand for all three enzymatic targets. These results, which were discussed in terms of ligand-enzyme interactions (especially hydrogen bonding between amino acid residues and ligands), indicate promising perspectives for synthesis and biological tests.-
Idioma: dc.languageen-
Publicador: dc.publisherBentham Science Publishers-
Direitos: dc.rightsrestrictAccess-
???dc.source???: dc.sourceLetters in Drug Design & Discovery-
Palavras-chave: dc.subjectAntihypertensives-
Palavras-chave: dc.subjectAngiotensin converting-enzyme-
Palavras-chave: dc.subjectCalcium channel-
Palavras-chave: dc.subjectRennin-
Palavras-chave: dc.subjectDocking studies-
Palavras-chave: dc.subjectIntermolecular interactions-
Título: dc.titleExploring structure-based drug design for the development of multi-target antihypertensives-
Tipo de arquivo: dc.typeArtigo-
Aparece nas coleções:Repositório Institucional da Universidade Federal de Lavras (RIUFLA)

Não existem arquivos associados a este item.