Computational Drug Repositioning for Chagas Disease Using Protein-Ligand Interaction Profiling

Chagas disease, caused by Trypanosoma cruzi (T. cruzi), affects nearly eight million people worldwide. There are currently only limited treatment options, which cause several side effects and have drug resistance. Thus, there is a great need for a novel, improved Chagas treatment. Bifunctional enzym...

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Bibliographic Details
Published in:International journal of molecular sciences 2020-06, Vol.21 (12), p.4270
Main Authors: Juárez-Saldivar, Alfredo, Schroeder, Michael, Salentin, Sebastian, Haupt, V. Joachim, Saavedra, Emma, Vázquez, Citlali, Reyes-Espinosa, Francisco, Herrera-Mayorga, Verónica, Villalobos-Rocha, Juan Carlos, García-Pérez, Carlos A., Campillo, Nuria E., Rivera, Gildardo
Format: Article
Language:English
Subjects:
Binding sites
Chagas Disease - drug therapy
Chagas Disease - enzymology
Computer Simulation
Crystal structure
Dihydrofolate reductase
Disease
Drug Repositioning
Drugs
Enzymes
FDA approval
Folic Acid Antagonists - chemistry
Folic Acid Antagonists - pharmacology
Glipizide - chemistry
Glipizide - pharmacology
Glyburide - chemistry
Glyburide - pharmacology
Humans
Inhibitor drugs
Ligands
Molecular Docking Simulation
Molecular Structure
Proteins
Pyrimidines - chemistry
Pyrimidines - pharmacology
Structure-Activity Relationship
Sulfonylurea Compounds - chemistry
Sulfonylurea Compounds - pharmacology
Trypanocidal Agents - chemistry
Trypanocidal Agents - pharmacology
Trypanosoma cruzi - drug effects
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