Use este identificador para citar ou linkar para este item:
Título: Theoretical design of new indole-3-carboxamide derivatives as renin inhibitors
Palavras-chave: Docking studies
Renin inhibitors
Estudos de docagem
Inibidores de renina
Data do documento: Jul-2015
Editor: Springer
Citação: MOTA, 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.
Resumo: Renin 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.
Aparece nas coleções:DQI - Artigos publicados em periódicos

Arquivos associados a este item:
Não existem arquivos associados a este item.

Os itens no repositório estão protegidos por copyright, com todos os direitos reservados, salvo quando é indicado o contrário.