TABLE 4.
The total scores and residues for the chemical bonds between compounds and neuraminidase.
Compounds | Total score | Conventional hydrogen bond residues | Carbon hydrogen bond residues | Attractive charge |
---|---|---|---|---|
Isoimperatorin | 6.959 | ARG: 371, ARG: 118 | - | - |
Oseltamivir | 10.4036 | ARG: 152, ARG: 371, ARG: 118, ARG: 292, GLU: 119 | TYR: 406 | ASP: 151, GLU: 277, GLU: 227 |