Targeting mechanism for SARS-CoV-2 in silico: Interaction and key groups of TMPRSS2 toward four potential drugs

Medicine & Life Sciences

• Severe Acute Respiratory Syndrome 85%
• Coronavirus 83%
• Serine Proteases 74%
• Computer Simulation 62%
• nafamostat 47%
• camostat 38%
• Gabexate 36%
• Pharmaceutical Preparations 27%
• Guanidine 18%
• Coronavirus Spike Glycoproteins 12%
• angiotensin converting enzyme 2 10%
• Serine Proteinase Inhibitors 9%
• Molecular Structure 8%
• Hydrogen Bonding 8%
• Drug Design 8%
• Molecular Dynamics Simulation 8%
• Drug Delivery Systems 7%
• Peptide Hydrolases 6%
• Binding Sites 5%
• Direction compound 5%
• Amino Acids 5%
• Health 3%

Chemical Compounds

• Serine 62%
• Camostat 46%
• Nafamostat 44%
• Bromhexine 38%
• Drug 34%
• Guanidinium 17%
• Van Der Waals Force 14%
• Serine Protease Inhibitor 10%
• Kd 5%
• Gibbs Free Energy 5%
• Molecular Dynamics 5%
• Binding Site 5%
• Molecular Structure 5%
• Hydrogen Bond 4%
• Energy 3%
• Protein 3%
• Acid 2%

Engineering & Materials Science

• Peptide Hydrolases 100%
• Drug Delivery Systems 8%
• Binding sites 8%
• Hydrogen bonds 8%
• Molecular structure 7%
• Conformations 7%
• Amino acids 7%
• Free energy 7%
• Enzymes 6%
• Clamping devices 6%
• Screening 5%
• Proteins 5%
• Health 4%
• Computer simulation 3%