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Molecular docking of 24CPA with 4NV2 protein to find the best binding energy with residues and bond distance.
| Ligand | Bonded residues | No. of hydrogen bond | Bond distance (Å) | Estimated Inhibition Constant (μm) | Binding energy (kcal/mol) | Intermolecular Energy (kcal/mol) |
|---|---|---|---|---|---|---|
| 24CPA | LYS41/HZ3 ASP57/CA THR51/HN LYS41/O |
4 |
1.9 3.4 2.3 2.6 |
101.56 |
-7.55 |
-6.64 |
