Virtual screening of approved drugs as potential SARS-CoV-2 main protease inhibitors

Matemáticas

• Virtual Screening 96%
• Protease 79%
• Severe Acute Respiratory Syndrome 76%
• Inhibitor 61%
• Drugs 50%
• Molecules 19%
• Docking 15%
• Drug Discovery 15%
• Binding Energy 15%
• Molecular Dynamics Simulation 15%
• Morbidity 14%
• Infrastructure 13%
• Emergency 13%
• Safety 11%
• Mortality 11%
• Replication 10%
• Free Energy 10%
• Coverage 9%
• Human 8%
• Target 8%
• Alternatives 6%

Medicina y ciencias biológicas

• SARS coronavirus 3C-like protease 100%
• Preclinical Drug Evaluations 58%
• Protease Inhibitors 50%
• SARS Virus 48%
• Peptide Hydrolases 41%
• Drug Discovery 33%
• Drug Repositioning 22%
• Molecular Dynamics Simulation 18%
• Catalytic Domain 14%
• Emergencies 12%
• Ligands 11%
• Morbidity 9%
• Safety 9%
• Mortality 8%
• Therapeutics 8%
• Pharmaceutical Preparations 6%

Química

• Protease Inhibitor 57%
• Drug 25%
• Conformational Isomer 10%
• Safety 10%
• Gibbs Free Energy 9%
• Molecular Dynamics 9%
• Molecule 8%
• Simulation 7%
• Ligand 5%