Table 2.
Docked energies and amino acid residues of binding interactions of ligands and 2NSD
| S. no. | Ligand | Docked energy with 2NSD, kcal/mol | Interaction with amino acids |
|---|---|---|---|
| 1 | P1 | –9.1 | LEU217, LEU218, ARG225 |
| 2 | P2 | –8.2 | LEU217, LEU218, ARG225 |
| 3 | P3 | –11.6 | LEU217, LEU218, ARG225 |
| 4 | P4 | –8.8 | LEU217, ARG225 |
| 5 | P5 | –8.3 | LEU217, LEU218, ARG225 |
| 6 | P6 | –11.2 | LEU217, LEU218, ARG225 |
| 7 | P7 | –8.2 | ARG225 |
| 8 | P8 | –9.2 | LEU217, LEU218, ARG225 |
| 9 | P9 | –9.1 | LEU217, LEU218, ARG225 |
| 10 | P10 | –10.2 | LEU217, LEU218, ARG225 |