Dynamics of catalysis and inhibition in oligopeptidases: natural peptide structures as promising antihypertensive agents.

Dynamics of catalysis and inhibition in oligopeptidases: natural peptide structures as promising antihypertensive agents.

Short Abstract: Molecular modeling, combined with docking and molecular dynamics experiments was used to study the dynamics of catalysis/inhibition in ?druggable? human Oligopeptidases. The dynamics of ligand recognition and structural determinants for selective inhibition of these enzymes lead us to propose more selective oligopeptidase inhibitors with improved stability and pharmacological profile.

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Bibliographic Details
Main Authors: FERNANDEZ, J. H., RIOLI, V., NESHICH, G., FERRO, E. S., PORTARO, F. C., CAMARGO, A. C. M.
Other Authors: JORGE H. FERNANDEZ, Instituto Butantan; VANESSA RIOLI, Instituto Butantan; GORAN NESHICH, CNPTIA; EMMER S. FERRO, USP; FERNANDA C. PORTARO, Instituto Butantan; ANTONIO C. M. CAMARGO, Instituto Butantan.
Format: Anais e Proceedings de eventos biblioteca
Language:Ingles
English
Published: 2006-08-17
Subjects:Biologia molecular, Genoma, Proteína, Análise Comparativa, Molecular biology, Genome, Proteins,
Online Access:http://www.alice.cnptia.embrapa.br/alice/handle/doc/9292
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Summary:Short Abstract: Molecular modeling, combined with docking and molecular dynamics experiments was used to study the dynamics of catalysis/inhibition in ?druggable? human Oligopeptidases. The dynamics of ligand recognition and structural determinants for selective inhibition of these enzymes lead us to propose more selective oligopeptidase inhibitors with improved stability and pharmacological profile.

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