Table 2 Calculated potential energy of interaction (ΔE) and free energy of hydration (ΔG) for the interaction of selected sartans with PD-L1
Compounds | CIDa | ΔE (kcal/mol) | ΔG (kcal/mol) |
|---|---|---|---|
Azilsartan | 135415867 | − 76.30 | − 20.70 |
Candesartan | 2541 | − 62.45 | − 10.10 |
Embusartan | 133000 | − 72.20 | − 17.4 |
Enoltasosartan | 546936559 | − 65.60 | − 14.90 |
EXP3174 | 108185 | − 66.90 | − 19.42 |
Irbesartan | 3749 | − 64.55 | − 17.05 |
Losartan | 3961 | − 78.53 | − 14.52 |
Olmesartan | 158781 | − 80.60 | − 16.65 |
Pomisartan | 3050407 | − 78.60 | − 19.40 |
Saprisartan | 60921 | − 77.50 | − 21.80 |
Tasosartan | 60919 | − 78.60 | − 19.20 |
Telmisartan | 65999 | − 70.64 | − 23.50 |
Valsartan | 60846 | − 69.35 | − 15.05 |