Table 7 Binding affinity score of the ligands and their interaction with the adenosine A2A receptor
Ligand | Vina score (Kcal/Mol) | Residues involved in hydrogen bonds interactions | Residues involved in hydrophobic Alky- Alkyl interactions | Residues involved in pi-interactions |
|---|---|---|---|---|
CGS-21680 | -10.9 | ASN 253(2), GLU 169, HIS 278(2), HIS 250, LYS 153 | PHE 168 | ALA 89, LEU 85, CYS,185 |
Caffeine | -6.5 | ASN 253 | LEU 249 (2) | PHE 168 (2) |
Folic Acid | -9.8 | GLU 169, ILE 66, HIS 278, SER 277 | PHE 168 | MET 270(2) |