Table 10.
Chemical interaction analyses of the inhibitory activity of borapetoside D against AG using Discovery Studio.
| Receptor (amino acid) | Distance (Å) | Ligand (group) | Receptor (group) | Chemical interaction |
|---|---|---|---|---|
| ASP382 | 2.33377 | H-Donor | H-Acceptor | Hydrogen bond |
| ASP327 | 3.08067 | H-Donor | H-Acceptor | Hydrogen bond |
| ARG411 | 3.1259 | H-Acceptor | H-Donor | Hydrogen bond |
| MET285 | 3.43083 | H-Donor | H-Acceptor | Hydrogen bond |
| ASP382 | 3.54343 | H-Donor | H-Acceptor | Hydrogen bond |
| PHE144 | 3.58219 | H-Acceptor | H-Donor | Hydrogen bond |
| GLY384 | 3.56044 | H-Acceptor | H-Donor | Hydrogen bond |
| MET285 | 3.82702 | Pi-Orbitals | Amide | Hydrophobic |
| ILE143 | 4.59271 | Alkyl | Alkyl | Hydrophobic |