Table 2 Amino acid and binding affinity value of the vanillic acid interaction with different dental pathogen receptors. PRO (proline), PHE (phenylalanine), TYR (Tyrosin), LYS (lysine), ILE (isoleucine), VAL (Valine), SER (serine), TRP (tryptophan), LEU (leucine), HIS (histidine), ARG (arginine), ASN (Asparagine), ALA (Alanine) and GLU (glutamic acid)
| Â | Receptor (PDB ID) | Ligand | Binding affinity (kcal/mol) | Amino acid interaction |
|---|---|---|---|---|
1. | S. aureus: Sortase A-substrate Complex (SrtA) (PDB: 2KID) | Cinnamic acid | -5.5 | ILE, LEU, ASN, ARG |
2. | P. aeruginosa: LasR (PDB: 4NG2) | Cinnamic acid | -3.1 | ALA, PHE, LEU, TRP, ARG |
3. | E. coli: Outer membrane porin (OmpC) (PDB: 2J1N) | Cinnamic acid | -6.3 | LEU, PRO, HIS, TYR |
4. | V. vulnificus: EpsD (PDB: 6I1Y) | Cinnamic acid | -2.8 | GLU, LYS, SER, PHE |