Table 2 Docking and MM-GBSA scores of PHE with the core proteins.
Compound | Target | XP Gscore | MM-GBSA dG Bind(kcal/mol) |
|---|---|---|---|
PHE | DRD1 | − 6.910 | − 31.42 |
SLC6A4 | − 6.304 | − 33.42 | |
SLC6A3 | − 4.917 | − 43.84 | |
ADRB1 | − 4.876 | − 35.30 | |
DRD2 | − 3.858 | − 43.60 |
