Non-peptidic Cruzain Inhibitors with Trypanocidal Activity Discovered by Virtual Screening and In Vitro Assay

Helton José Wiggers, Josmar R. Rocha, W.B. Fernandes, +9

PLoS neglected tropical diseases

Drug TargetAntiparasitic AgentPathologyPharmacotherapyMulti-step Cascade Strategy +23

Molecular Design, Synthesis and Trypanocidal Activity of Dipeptidyl Nitriles as Cruzain Inhibitors

Leandro A. Alves Avelar, Cristian D. Camilo, Sérgio de Albuquerque, +11

PLoS neglected tropical diseases

Combinatorial ChemistryDrug TargetChemical BiologyPharmaceutical ChemistryMolecular Design +17

Novel insights for dihydroorotate dehydrogenase class 1A inhibitors discovery

Juliana Cheleski, Josmar R. Rocha, Matheus Pinto Pinheiro, +4

European Journal of Medicinal Chemistry

Aldo-keto ReductaseAldehyde DehydrogenaseBiochemistryNatural SciencesMedicine +5

Anti-trypanosomal activity of non-peptidic nitrile-based cysteine protease inhibitors

Antonio C. B. Burtoloso, Sérgio de Albuquerque, Mark Furber, +8

PLoS neglected tropical diseases

Molecular PharmacologyBiochemistryAntiparasitic AgentMedicineCysteine Protease Cruzipain +9

A comparative study of warheads for design of cysteine protease inhibitors

Daniel Giura da Silva, Jean F. R. Ribeiro, Daniela De Vita, +9

Bioorganic & Medicinal Chemistry Letters

BiochemistryMedicineNatural SciencesRational Drug DesignBioconjugation +7

Pharmacophore Modeling for Anti-Chagas Drug Design Using the Fragment Molecular Orbital Method

Ryunosuke Yoshino, Nobuaki Yasuo, D.K. Inaoka, +12

PLoS ONE

The influence of hydrogen bonding on partition coefficients

Nádia M. Borges, Peter W. Kenny, Carlos A. Montanari, +4

Journal of Computer-Aided Molecular Design

Materials ScienceEngineeringNatural SciencesChemical BondHydrogen Bond +7

Expression, purification and kinetic characterization of His-tagged glyceraldehyde-3-phosphate dehydrogenase from Trypanosoma cruzi

Juliana Cheleski, Renato Ferreira de Freitas, Helton José Wiggers, +3

Protein Expression and Purification

Trypanosoma CruziBiosynthesisEngineeringCellular EnzymologyBiochemistry +8

The Open Form Inducer Approach for Structure-Based Drug Design

D.K. Inaoka, Maiko Iida, T. Tabuchi, +17

PLoS ONE

Drug TargetBiomolecular Structure PredictionMolecular BiologyMedicinal ChemistryTcdhodh Active Site +15

Similarity search combined with docking and molecular dynamics for novel hAChE inhibitor scaffolds

Nadia Melo Borges, G. Sartori, Jean F. R. Ribeiro, +4

Journal of Molecular Modeling

Chemical BiologyMedicinal ChemistryEngineeringBiochemistryNatural Sciences +9