Table 3 Types of bonding and interacting amino acids of V2R with top five compounds
S. nos | Name of the compound | Binding energy | H-bonding | Vander wall | Pi-alkyl | Pi-Pi stacked | Unfavourable acceptor-acceptor |
|---|---|---|---|---|---|---|---|
1 | Diosmetin | − 8.6 | GLN-96 | CYS-192 | ALA-98, PRO-95 | PHE-105 | GLN-119 |
2 | Luteolin | − 8.5 | PHE-105, GLN-119, LYS-116 | – | CYS-192, ALA-98, PRO-95 | – | GLN-96 |
3 | Hispidulin | − 8.2 | – | ARG-106 | ALA-98, PRO-95, CYS-192 | PHE-105 | – |