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

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%

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%