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dc.creatorMota, Estella G. da-
dc.creatorDuarte, Mariene H.-
dc.creatorCunha, Elaine F. F. da-
dc.creatorFreitas, Matheus P.-
dc.identifier.citationMOTA, E. G. da et al. Theoretical design of new indole-3-carboxamide derivatives as renin inhibitors. Medicinal Chemistry Research, Cambridge, v. 24, n. 7, p. 3097-3106, July 2015.pt_BR
dc.description.abstractRenin inhibitors pertain to a new generation class of antihypertensive agents. There are only a few studies on the computational modeling of such class of compounds and only one available drug in the market used as renin inhibitor for the treatment of hypertension, aliskiren. The present study reports the QSAR modeling of the activities of a series of indole-3-carboxamide derivatives using MIA-QSAR in order to propose new promising analogs as renin inhibitor candidates. The proposed structures were submitted to docking evaluation to search for the interaction modes responsible for the calculated bioactivities. In addition, the drug likeness of the proposed compounds was investigated using theoretical data related to pharmacokinetic properties. Overall, at least two promising candidates are proposed as highly active and pharmacokinetically acceptable renin inhibitors.pt_BR
dc.sourceMedicinal Chemistry Researchpt_BR
dc.subjectDocking studiespt_BR
dc.subjectRenin inhibitorspt_BR
dc.subjectEstudos de docagempt_BR
dc.subjectInibidores de reninapt_BR
dc.titleTheoretical design of new indole-3-carboxamide derivatives as renin inhibitorspt_BR
Appears in Collections:DQI - Artigos publicados em periódicos

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