Table 1.

Binding scores for drug–targets pairs predicted by network-based and sequence similarity methods.

Drug nameDrugbank IDViral protein nameViral protein target PDBNetwork mean scoreBindScope score
ArtenimolDB11638NSP87BTF_chainB0.510018970.951099694
NADHDB00157NSP137BTF_chainC0.350279150.908634782
FostamatinibDB12010NSP137BTF_chainC1.231324540.878183186
ArtenimolDB11638N6YI30.389989560.793080389
FostamatinibDB12010ORF9b6Z4U0.573509590.535310388
NADHDB00157ORF8QHD434220.432569580.407533526
FostamatinibDB12010NSP76WCF0.312705540.27964434
FostamatinibDB12010NSP1QHD43415_10.428451610.1326
NADHDB00157NSP76WCF0.463853050.034212183
FostamatinibDB12010NSP2QHD43415_20.391587550.0123
FostamatinibDB12010ORF8QHD434220.47308010.01216421
FostamatinibDB120109N6YI30.309906180.003463759
  • Colors indicate strength of binding predictions from BindScope from poor (red) to good (green).