Table 11 The promoting factors for the formation of adduct between Vs and Y108.
Target | OPNAs | Binding energy (kcal/mol) | Residues | Combination type |
|---|---|---|---|---|
HSA | Vs | − 5.51 | Y108(Y84) | Covalent bond |
V101(V77) | Hydrogen Bond | |||
L104(L80) | Hydrogen Bond | |||
P59 (P35) | Hydrogen Bond | |||
K65(K41) | Hydrogen Bond | |||
D62(D38) | Electrostatic interaction |
