Use este identificador para citar ou linkar para este item: http://repositorio.ufla.br/jspui/handle/1/41858
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dc.creatorMota, Estella G. da-
dc.creatorCunha, Elaine F. F. da-
dc.creatorFreitas, Matheus P.-
dc.date.accessioned2020-07-12T23:52:48Z-
dc.date.available2020-07-12T23:52:48Z-
dc.date.issued2015-
dc.identifier.citationMOTA, E. G.; CUNHA, E. F. F. da; FREITAS, M. P. Exploring structure-based drug design for the development of multi-target antihypertensives. Letters in Drug Design & Discovery, [S.l.], v. 12, n. 9, p. 704-710, 2015. DOI: 10.2174/1570180812666150331203528.pt_BR
dc.identifier.urihttp://www.eurekaselect.com/129914/articlept_BR
dc.identifier.urihttp://repositorio.ufla.br/jspui/handle/1/41858-
dc.description.abstractThis 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.pt_BR
dc.languageen_USpt_BR
dc.publisherBentham Science Publisherspt_BR
dc.rightsrestrictAccesspt_BR
dc.sourceLetters in Drug Design & Discoverypt_BR
dc.subjectAntihypertensivespt_BR
dc.subjectAngiotensin converting-enzymept_BR
dc.subjectCalcium channelpt_BR
dc.subjectRenninpt_BR
dc.subjectDocking studiespt_BR
dc.subjectIntermolecular interactionspt_BR
dc.titleExploring structure-based drug design for the development of multi-target antihypertensivespt_BR
dc.typeArtigopt_BR
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