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Determining the structural basis for specificity of ligands using crystallographic screening
(Humana Press Inc, 2006-01-01)
Crystallographic screening has been used to identify new inhibitors for potential target for drug development. Here, we describe the application of the crystallographic screening to assess the structural basis of specificity ...
Determining the structural basis for specificity of ligands using crystallographic screening
(Humana Press Inc, 2006-01-01)
Crystallographic screening has been used to identify new inhibitors for potential target for drug development. Here, we describe the application of the crystallographic screening to assess the structural basis of specificity ...
Determining the structural basis for specificity of ligands using crystallographic screening
(Humana Press Inc, 2014)
Crystallization and preliminary X-ray crystallographic analysis of chorismate synthase from Mycobacterium tuberculosis
(Blackwell Munksgaard, 2004-11-01)
The enzymes of the shikimate pathway are potential targets for the development of new therapies because they are essential for bacteria but absent from mammals. The last step in this pathway is performed by chorismate ...
Crystallization and preliminary X-ray crystallographic analysis of chorismate synthase from Mycobacterium tuberculosis
(Blackwell Munksgaard, 2004-11-01)
The enzymes of the shikimate pathway are potential targets for the development of new therapies because they are essential for bacteria but absent from mammals. The last step in this pathway is performed by chorismate ...
Crystal structure of Schistosoma purine nucleoside phosphorylase complexed with a novel monocyclic inhibitor
(ELSEVIER SCIENCE BV, 2010)
A novel inhibitor of Schistosoma PNP was identified using an ""in silico"" approach allied to enzyme inhibition assays. The compound has a monocyclic structure which has not been previously described for PNP inhibitors The ...
Virtual Screening de compostos em estudos clínicos em humanos para possível atividade em catepsina B1 de Schistosoma mansoni
(Universidade Federal de São Paulo, 2022-02-11)
A esquistossomose é uma zoonose negligenciada causada por helmintos do
gênero Schistosoma spp que coloca em risco 800 milhões de pessoas globalmente.
Atualmente, o tratamento da doença conta apenas com apenas um fármaco, ...
Molecular dynamics, flexible docking, virtual screening, ADMET predictions, and molecular interaction field studies to design novel potential MAO-B inhibitors
(ADENINE PRESS, 2008)
Monoamine oxidase is a flavoenzyme bound to the mitochondrial outer membranes of the cells, which is responsible for the oxidative deamination of neurotransmitter and dietary amines. It has two distinct isozymic forms, ...
Compostos organoestânicos derivados do ácido valpróico: preparação, elucidação estrutural e estudo preliminar da atividade biológica in vitro
(Universidade Federal de Minas GeraisUFMG, 2013-09-02)
The synthesis, characterization and structural authentication of organotin valproates, [{Me2SnVPA}2O]2 (1), [{Bu2SnVPA}2O]2 (2), [PhSn(O)VPA]6 (3), [Me3SnVPA]n (4), [Bu3SnVPA]n (5) and Ph3SnVPA (6) are described in this ...