Table 4.
Molecular Docking Score with interacting amino acid residues.
| Sr.No | Tyrosine Kinase | Active constituent | Docking Score | Amino acid residues involved in H-bond formation |
|---|---|---|---|---|
| 1 | MAPK-8 | Lopinavir | -7.692 | ASN114, SER155, LYS55, LYS153 |
| Ritonavir | -8.512 | ASN114, SER34, LYS55, SER155, LYS153 | ||
| 2 | PARP-1 | Lopinavir | -8.298 | TYR907, ARG878, HIE909 |
| Ritonavir | -9.455 | GLU763, MET890, TYR907 | ||
| Hydroxychloroquine | -7.243 | TYR907, GLY863, ASP770 | ||
| 3 | EGFR | Lopinavir | -7.126 | ARG841, CYS797, LYS745 |
| Ritonavir | -8.109 | ASN842, ASP837, ASP855 | ||
| Hydroxychloroquine | -7.035 | GLN 791, ASP855, PHE723 | ||
| 4 | PRKCB | Ritonavir | -7.153 | ASP470, ASP427, LYS486, ASN471 |
| 5 | PTGS-2 | Hydroxychloroquine | -7.557 | TRP387, ARG120 |
| 6 | BCL-2 | Vitamin C | -8.157 | ASP98, GLU71, GLU11 |