Table 3.
Binding interaction of different bioactive herbal ligands with the active site of SARS-CoV-2 NSP15 endoribonuclease (PDB ID: 6W01).
S. No. | Ligand | Interaction (PDB-6M0J) |
||
---|---|---|---|---|
H-Bonding | No. of H-Bond |
|||
HBD | HBA | |||
1 | Asparoside-C | Glu 234, Gly 230, Val 292, Hip 235, Asp 240 | 5 | 3 |
2 | Asparoside-F | Glu 234, Gly 230, Ala 232, Hip 235, Asp 240, Glu 340, Val 339 | 5 | 3 |
3 | Asparoside-D | Glu 340, His 243, Gln 245, Asp 240, Asn 278, Leu 346 | 6 | 1 |
4 | Rutin | Asp 240, Gln 245, Hip 235, Hip 250, Glu 340 | 4 | 3 |
5 | Racemoside-A | Thr 341, Hip 235, Glu 340, Hip 250 | 3 | 3 |
6 | Remdesivir | Val 292, Hip 235, Thr 341 | 1 | 2 |
H-Bond: Hydrogen Bonding, HBD: Hydrogen bond donor, HBA: Hydrogen bond acceptor in respect to ligand.