Results 161 to 170 of about 1,018 (177)

Structure of Cruzipain/Cruzain Inhibitors Isolated from Bauhinia bauhinioides Seeds

bchm, 2001
The saline extract of Bauhinia bauhinioides dry seeds was shown to inhibit cruzipain, a cysteine proteinase from Trypanosoma cruzi. The inhibitory activity was assigned to a protein with 164 amino acid residues and molecular mass of 18 034 Da that was purified by chromatography on DEAE-Sephadex, trypsin-Sepharose (removal of trypsin inhibitors), Mono Q
C, de Oliveira, L A, Santana, A K, Carmona, M H, Cezari, M U, Sampaio, C A, Sampaio, M L, Oliva   +6 more
openaire   +2 more sources

Discovery of Novel Inhibitors of Cruzain Cysteine Protease of Trypanosoma cruzi

Current Medicinal Chemistry
Abstract: Chagas disease (CD) is a parasitic disease endemic in several developing coun-tries. According to the World Health Organization, approximately 6-8 million people worldwide are inflicted by CD. The scarcity of new drugs, mainly for the chronic phase, is the main reason for treatment limitation in CD.
João Lucas Bruno Prates, Juliana Romano Lopes, Chung Man Chin, Elizabeth Igne Ferreira, Jean Leandro dos Santos, Cauê Benito Scarim   +5 more
openaire   +2 more sources

Computational Study of the Catalytic Mechanism of the Cruzain Cysteine Protease

ACS Catalysis, 2017
Cysteine proteases of the papain family are involved in many diseases, making them attractive targets for developing drugs. In this paper, different catalytic mechanisms of cruzain cysteine protease have been studied on the basis of molecular dynamics simulations within hybrid quantum mechanics/molecular mechanics potentials.
Kemel Arafet, Silvia Ferrer, Vicent Moliner   +2 more
openaire   +1 more source

Integration of Ligand‐ and Target‐Based Virtual Screening for the Discovery of Cruzain Inhibitors

Molecular Informatics, 2011
AbstractA myriad of methods are available for virtual screening of small organic compound databases. In this study we have successfully applied a quantitative model of consensus measurements, using a combination of 3D similarity searches (ROCS and EON), Hologram Quantitative Structure Activity Relationships (HQSAR) and docking (FRED, FlexX, Glide and ...
H J, Wiggers, J R, Rocha, J, Cheleski, C A, Montanari   +3 more
openaire   +2 more sources

Cruzain inhibition by terpenoids

Planta Medica, 2008
BR Agius, SL Stokes, LR Richter, WN Setzer   +3 more
openaire   +1 more source

Cruzain

2011
Mohammed Sajid, Stephanie A. Robertson, Linda S. Brinen, James H. McKerrow   +3 more
openaire   +1 more source

Structure-based discovery of novel cruzain inhibitors with distinct trypanocidal activity profiles

European Journal of Medicinal Chemistry, 2023
Viviane Correa Santos, Lucianna Hélène Santos, Peter Kolb   +2 more
exaly  

Screening the Pathogen Box to Discover and Characterize New Cruzain and TbrCatL Inhibitors

Pathogens, 2023
Luan Carvalho Martins, Renata Barbosa De Oliveira, Rafaela Salgado Ferreira   +2 more
exaly  

Synthesis and biological evaluation in vitro and in silico of N-propionyl-N′-benzeneacylhydrazone derivatives as cruzain inhibitors of Trypanosoma cruzi

Molecular Diversity, 2020
Benjamin Nogueda-Torres, JOSÉ C Espinoza-Hicks, Lenci K Vázquez-Jiménez   +2 more
exaly  

Investigating the Lack of Translation from Cruzain Inhibition to Trypanosoma cruzi Activity with Machine Learning and Chemical Space Analyses

ChemMedChem, 2023
Rafael F Lameiro, CARLOS A Montanari
exaly