International Journal of Phytomedicine and Phytotherapy
Table 6 Clusters and interactions of 3CLpro-Isonymphaeol B and PLpro-Silymarin
Protein- Compound complex | Cluster number | Hydrophobic interactions | Hydrogen bonds | ||
|---|---|---|---|---|---|
| Â | Â | Number of interactions | Amino acids involved in the interaction | Number of interactions | Amino acids involved in the interaction |
3CLpro-Isonymphaeol B | Cluster 1 | 2 | Q107 – T292 | 3 | Q110 – T111 (2) |
Cluster 2 | 3 | I249 – T292—F294 | 1 | D245 | |
PLpro-Silymarin | Cluster 1 | 3 | G161 – D162—G269 | 2 | V157 – M167 |
Cluster 2 | 1 | D162 | 2 | C109 – G269 | |