Discovering broad-spectrum inhibitors for SARS-CoV-2 variants: a cheminformatics and biophysical approach targeting the main protease

Biochemistry, Genetics and Molecular Biology

• Binding Energy 100%
• SARS Coronavirus 100%
• Protease 100%
• Blood Brain Barrier 80%
• Enzyme 40%
• Surface Area 40%
• Enzyme Active Site 40%
• Molecular Mechanic 40%
• Biological Activity 20%
• Metabolite 20%
• Secondary Metabolite 20%
• Solvation 20%

Pharmacology, Toxicology and Pharmaceutical Science

• SARS Coronavirus 100%
• Proteinase 100%
• Blood-Brain Barrier 100%
• Molecular Mechanic 50%
• Biological Activity 25%
• Absorption-Distribution-Metabolism-Excretion Toxicity 25%
• Natural Product 25%
• Virtual Screening 25%
• Receptor 25%
• Van Der Waals Force 25%
• Antivirus Agent 25%
• Antiviral Drug 25%

Chemistry

• Binding Energy 100%
• Dissociation Energy 80%
• Surface Area 40%
• Metabolite 40%
• Bioactivity 20%
• Van Der Waals Force 20%
• Solvation 20%
• Virtual Screening 20%
• Free Energy 20%
• Marine Natural Products 20%