Table 1. Details of docked complex of CviR receptor protein with natural ligand and compound cyclo(Trp-Ser).
Molecules | Binding Energy (kcal/mol) | Hydrogen bonding interactions | Key Hydrophobic interactions |
---|---|---|---|
Natural ligind (C6HSL) | −6.86 | Asp97, Trp84, Tyr80, Ser155 | Leu100, Leu85, Ile99, Tyr88, Trp111, Phe126, Trp111, Phe126, Tyr80 |
Cyclo(Trp-Ser) | −8.68 | Asp97, Trp84, Tyr88 | Leu57, Val75, Leu100, Phe115 |