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. 2022 Dec 22;49(1):127–138. doi: 10.1134/S1068162023010053

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