Table 3.
Hydrogen bond length of key residues during molecular dynamics simulation of ivermectin in complex with Nsp9 and importin α.
| S.No. | Target | Amino acids | H-bond distance (Å) at different time intervals |
||||||
|---|---|---|---|---|---|---|---|---|---|
| 50 ns | 60 ns | 70 ns | 80 ns | 90 ns | 100 ns | Average | |||
| 1. | Nsp9 | Ser105 | 2.89 | 3.07 | 3.22 | 2.93 | 3.74 | 3.98 | 3.31 |
| Thr109 | 2.86 | 2.69 | 2.80 | 3.38 | 3.44 | 3.27 | 3.07 | ||
| 2. | IMPα | Gly150 | 2.97 | 3.61 | 3.07 | 3.16 | 3.02 | 2.75 | 3.09 |
| Trp184 | 2.71 | 3.07 | 2.81 | 2.88 | 3.07 | 2.85 | 2.89 | ||