Skip to main content
. 2021 Feb 19;23:100539. doi: 10.1016/j.imu.2021.100539

Table 1.

Chemical analysis data of the compounds selected by the cutoff point of match1.

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.