Repositioning FDA drugs as potential cruzain inhibitors from Trypanosoma cruzi: Virtual screening, in vitro and in vivo studies

Medicina y ciencias biológicas

• Trypanosoma cruzi cruzain 100%
• Drug Repositioning 64%
• benzonidazole 43%
• Nifurtimox 30%
• In Vitro Techniques 20%
• Pharmaceutical Preparations 19%
• cruzipain 16%
• Trypanocidal Agents 15%
• Floxacillin 14%
• Molecular Docking Simulation 13%
• Lactams 13%
• Clofibrate 13%
• Essential Drugs 13%
• Cefoperazone 12%
• Hypolipidemic Agents 12%
• Fibric Acids 12%
• Piperacillin 12%
• Neglected Diseases 12%
• Trypanosoma cruzi 11%
• Chagas Disease 11%
• Parasitemia 11%
• Cluster Analysis 8%
• Parasites 7%
• Ligands 6%
• Amino Acids 6%
• Pharmacology 6%
• Anti-Bacterial Agents 6%
• Infections 4%

Física y astronomía

• inhibitors 54%
• drugs 47%
• screening 40%
• mice 14%
• parasites 9%
• antibiotics 9%
• infectious diseases 8%
• amino acids 7%
• affinity 7%
• ligands 6%
• blood 6%
• binding energy 5%
• evaluation 4%

Química

• Benznidazole 32%
• Trypanocidal 29%
• Drug 24%
• Nifurtimox 22%
• Antilipemic 13%
• Flucloxacillin 12%
• Antitriglyceride 11%
• Cefoperazone 11%
• Piperacillin 11%
• Trypanocidal Agent 10%
• Clofibrate 10%
• Binding Energy 5%
• Kd 5%
• Antimicrobial Agent 4%
• Strain 4%
• Reduction 3%
• Acid 2%