Molecular Design, Synthesis and Trypanocidal Activity of Dipeptidyl Nitriles as Cruzain Inhibitors. [PDF]
PLoS Neglected Tropical Diseases, 2015 A series of compounds based on the dipeptidyl nitrile scaffold were synthesized and assayed for their inhibitory activity against the T. cruzi cysteine protease cruzain.
Leandro A A Avelar +13 more
doaj +3 more sources
Dissecting a novel allosteric mechanism of cruzain: A computer-aided approach.
PLoS ONE, 2019 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 them are highly toxic and ...
Lilian Hernández Alvarez +3 more
doaj +6 more sources
Molecules, 2017 Chagas disease (CD) is a neglected disease caused by the parasite Trypanosoma cruzi, which affects underdeveloped countries. The current drugs of choice are nifurtimox and benznidazole, but both have severe adverse effects and less effectivity in chronic
Isidro Palos +2 more
exaly +3 more sources
TropMol-Caipora: A Cloud-Based Web Tool to Predict Cruzain Inhibitors by Machine Learning [PDF]
ACS OmegaThiago H. Doring
doaj +2 more sources
Computational approaches towards the discovery and optimisation of cruzain inhibitors. [PDF]
Mem Inst Oswaldo Cruz, 2022 The need to develop safer and more efficacious drugs to treat Chagas disease has motivated the search for cruzain inhibitors. Cruzain is the recombinant, truncated version of cruzipain, a cysteine protease from Trypanosoma cruzi with important roles during the parasite life cycle.
Santos VC, Ferreira RS.
europepmc +4 more sources
Peptidomimetic Vinyl Heterocyclic Inhibitors of Cruzain Effect Antitrypanosomal Activity [PDF]
Journal of Medicinal Chemistry, 2020 Cruzain, an essential cysteine protease of the parasitic protozoan, Trypanosoma cruzi, is an important drug target for Chagas disease. We describe here a new series of reversible but time-dependent inhibitors of cruzain, composed of a dipeptide scaffold appended to vinyl heterocycles meant to provide replacements for the irreversible reactive "warheads"
Bala C. Chenna +12 more
openaire +2 more sources
Computational Study of the Michaelis Complex Formation and the Effect on the Reaction Mechanism of Cruzain Cysteine Protease [PDF]
ACS Omega, 2018 Cruzain, a cysteine protease of the papain family, is essential in the development of the protozoan Trypanosoma cruzi, the etiologic agent of Chagas disease, making it an attractive target for developing new drugs. The present paper is aimed at the study
Kemel Arafet +2 more
doaj +3 more sources
Antiparasitic Activities of Compounds Isolated from Aspergillus fumigatus Strain Discovered in Northcentral Nigeria. [PDF]
Antibiotics (Basel), 2023 In this study, we explored a fungal strain UIAU-3F identified as Aspergillus fumigatus isolated from soil samples collected from the River Oyun in Kwara State, Nigeria. In order to explore its chemical diversity, the fungal strain UIAU-3F was cultured in
Diyaolu OA +10 more
europepmc +6 more sources
Lies and Liabilities: Computational Assessment of High-Throughput Screening Hits to Identify Artifact Compounds. [PDF]
J Med Chem, 2023 Hits from high-throughput screening (HTS) of chemical libraries are often false positives due to their interference with assay detection technology. In response, we generated the largest publicly available library of chemical liabilities and developed ...
Alves VM +10 more
europepmc +3 more sources
Anti-trypanosomal activity of non-peptidic nitrile-based cysteine protease inhibitors. [PDF]
PLoS Neglected Tropical Diseases, 2017 The cysteine protease cruzipain is considered to be a validated target for therapeutic intervention in the treatment of Chagas disease. Anti-trypanosomal activity against the CL Brener strain of T. cruzi was observed in the 0.1 μM to 1 μM range for three
Antonio C B Burtoloso +10 more
doaj +1 more source