Self-Masked Aldehyde Inhibitors of Human Cathepsin L Are Potent Anti-CoV-2 Agents [PDF]
Frontiers in Chemistry, 2022 Cysteine proteases comprise an important class of drug targets, especially for infectious diseases such as Chagas disease (cruzain) and COVID-19 (3CL protease, cathepsin L). Peptide aldehydes have proven to be potent inhibitors for all of these proteases.
Jiyun Zhu +10 more
doaj +2 more sources
Identification of Novel Trypanosoma cruzi Cysteine Protease Inhibitors via Ligand-Based Virtual Screening of FDA-Approved Drugs with Trypanocidal Activity [PDF]
DiseasesBackground: Chagas disease is a major public health problem, especially in Latin American countries, and benznidazole and nifurtimox are currently the only drugs available for its treatment.
Lenci K. Vázquez-Jiménez +12 more
doaj +2 more sources
Non-peptidic cruzain inhibitors with trypanocidal activity discovered by virtual screening and in vitro assay. [PDF]
PLoS Neglected Tropical Diseases, 2013 A multi-step cascade strategy using integrated ligand- and target-based virtual screening methods was developed to select a small number of compounds from the ZINC database to be evaluated for trypanocidal activity.
Helton J Wiggers +11 more
doaj +2 more sources
Novel Cruzain Inhibitors for the Treatment of Chagas’ Disease [PDF]
Chemical Biology & Drug Design, 2012 The protozoan parasite Trypanosoma cruzi, the etiological agent of Chagas’ disease, affects millions of individuals and continues to be an important global health concern. The poor efficacy and unfavorable side effects of current treatments necessitate novel therapeutics. Cruzain, the major cysteine protease of T.
Rogers, Kathleen E +6 more
openaire +6 more sources
SPARFlow: a KNIME workflow for integrated structure–activity or structure–property relationship analysis [PDF]
Journal of CheminformaticsWe developed SPARFlow, an open-source KNIME workflow for structure–activity or structure–property relationship (SAR/SPR) analyses. The workflow integrates data preprocessing, chemical structure curation, similarity network construction, maximum common ...
Elier E. Abreu-Martínez +2 more
doaj +2 more sources
Natural Product Communications, 2007 The leaf essential oils of twenty-three species of Lauraceae from Monteverde, Costa Rica, have been screened for inhibition of the cysteine protease cruzain.
William N Setzer +2 more
exaly +2 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
Exploring the Anti-Chagas Activity of Zanthoxylum chiloperone’s Seedlings Through Metabolomics and Protein–Ligand Docking [PDF]
PlantsThis publication reports the controlled cultivation of Zanthoxylum chiloperone var. angustifolium Engl. (Rutaceae) in several growth substrates under controlled greenhouse conditions.
Ninfa Vera de Bilbao +18 more
doaj +2 more sources
The gene repertoire of the main cysteine protease of Trypanosoma cruzi, cruzipain, reveals four sub-types with distinct active sites [PDF]
Scientific Reports, 2021 Cruzipains are the main papain-like cysteine proteases of Trypanosoma cruzi, the protozoan parasite that causes Chagas disease. Encoded by a multigenic family, previous studies have estimated the presence of dozens of copies spread over multiple ...
Viviane Corrêa Santos +7 more
doaj +2 more sources
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