Table 1.
Drugs | Software | Protein | Binding Strength * | Stability ** | Steric Hindrance*** |
---|---|---|---|---|---|
Zanamivir | Patchdock | RBD | 40 | 1 | C |
Zanamivir | Autodock Vina | RBD | 39 | 2 | B |
Penciclovir | Autodock Vina | RBD | 39 | 3 | A |
Galidesivir | Patchdock | Polymerase | 35 | 4 | B |
Ribavirin | Patchdock | Polymerase | 33 | 5 | B |
Ribavirin | Autodock Vina | Polymerase | 33 | 6 | B |
Ganciclovir | Patchdock | RBD | 33 | 7 | A |
Tenofovir | Patchdock | Polymerase | 29 | 8 | C |
Ribavirin | Dockthor | Polymerase | 27 | 9 | A |
Tenofovir | Autodock Vina | Polymerase | 27 | 10 | B |
Zanamivir | Patchdock | Protein S - closed | 24 | 11 | B |
Adefovir | Autodock Vina | Polymerase | 23 | 12 | A |
Zanamivir | Autodock Vina | Protein S - open | 22 | 13 | B |
Penciclovir | Autodock Vina | Protein S - open | 20 | 14 | A |
Zanamivir | Patchdock | Protein S - open | 18 | 15 | A |
Niclosamine | Autodock Vina | Protein S - open | 18 | 16 | A |
Penciclovir | Dockthor | Protein S - open | 17 | 17 | A |
Ganciclovir | Patchdock | Protein S - open | 4 | 18 | A |
Penciclovir | Patchdock | Protein S - closed | 2 | 19 | A |
* Calculated as the sum of: strong H bonds: 10; moderate H bonds: 5; weak H bonds: 2; hydrophobic interactions: 2; Saline bridges: 4, π interactions: 4. ** Ordered from more (1) to less (19) stable complexes. *** A: small hindrance; B: medium hindrance; C: considerable hindrance; D: absolute hindrance.