Buscar
Mostrando ítems 1-10 de 74
Pharmacophore Model of Cruzain Inhibitors
(WILEY-V C H VERLAG GMBH, 2009)
Chagas disease, caused by the protozoan Trypanosoma cruzi, is one of the most serious amongst the so-called neglected diseases in Latin America, specially in Brazil. So far there has been no effective treatment for the ...
Uncovering false positives on a virtual screening search for cruzain inhibitors
(PERGAMON-ELSEVIER SCIENCE LTD, 2008)
Some unexpected promiscuous inhibitors were observed in a virtual screening protocol applied to select cruzain inhibitors from the ZINC database. Physical-chemical and pharmacophore model filters were used to reduce the ...
2D QSAR and similarity studies on cruzain inhibitors aimed at improving selectivity over cathepsin L
(PERGAMON-ELSEVIER SCIENCE LTD, 2008)
Hologram quantitative structure-activity relationships (HQSAR) were applied to a data set of 41 cruzain inhibitors. The best HQSAR model (Q(2) = 0.77; R-2 = 0.90) employing Surflex-Sim, as training and test sets generator, ...
Cruzain inhibition by hydroxymethylnitrofurazone and nitrofurazone: investigation of a new target in Trypanosoma cruzi
(Taylor & Francis Ltd, 2010-02-01)
Nitrofurazone (NF) and its derivative, hydroxymethylnitrofurazone (NFOH), have presented antichagasic activity. NFOH has higher activity and lower mutagenicity. The aim of this work was to assess whether NF and its derivative ...
Cruzain inhibition by hydroxymethylnitrofurazone and nitrofurazone: investigation of a new target in Trypanosoma cruzi
(Taylor & Francis Ltd, 2010-02-01)
Nitrofurazone (NF) and its derivative, hydroxymethylnitrofurazone (NFOH), have presented antichagasic activity. NFOH has higher activity and lower mutagenicity. The aim of this work was to assess whether NF and its derivative ...
Quantitative structure-activity relationships for a series of inhibitors of cruzain from Trypanosoma cruzi: Molecular modeling, CoMFA and CoMSIA studies
(ELSEVIER SCIENCE INC, 2009)
Human parasitic diseases are the foremost threat to human health and welfare around the world. Trypanosomiasis is a very serious infectious disease against which the currently available drugs are limited and not effective. ...
Synthesis, biological evaluation, and structure-activity relationships of potent noncovalent and nonpeptidic cruzain inhibitors as anti-Trypanosoma cruzi agents
(American Chemical Society - ACSWashington, DC, 2014-03)
The development of cruzain inhibitors has been driven by the urgent need to develop novel and more effective drugs for the treatment of Chagas’ disease. Herein, we report the lead optimization of a class of noncovalent ...
Dissecting a novel allosteric mechanism of cruzain: A computer-aided approach
(Public Library Science, 2019-01-25)
Trypanosoma cruzi is the causative agent of Chagas disease, a neglected infection affecting millions of people in tropical regions. There are several chemotherapeutic agents for the treatment of this disease, but most of ...