From: A computational multi-targeting approach for drug repositioning for psoriasis treatment
Targets | Binding Free Energies (kcal/mol) | |||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|
Sofosbuvir | Nelarabine | Entecavir | Clofarabine | Ganciclovir | Fluorouracil | Penciclovir | Lamivudine | Cladribine | Zalcitabine | Fludarabine | Cytarabine | |
A2AR | −13.78 | −16.85 | −15.88 | −13.126 | −15.46 | − 14.41 | − 13.93 | − 14.24 | −13.54 | − 13.22 | − 14.89 | −13.22 |
BTK | − 16.24 | − 18.04 | −15.87 | − 15.585 | − 16.69 | − 16.05 | − 16.02 | − 16.25 | − 17.92 | − 18.72 | − 16.10 | − 16.99 |
CS | − 13.83 | − 15.32 | − 12.27 | − 13.800 | − 13.93 | − 12.70 | − 12.76 | − 13.32 | − 17.03 | − 12.80 | − 13.48 | − 13.90 |
IL-17α | −13.69 | − 14.77 | − 14.84 | − 13.935 | −14.44 | −13.61 | − 13.63 | −14.96 | −13.56 | − 13.61 | − 15.96 | −14.47 |
IL-23 | − 13.22 | −14.94 | − 12.05 | − 15.623 | −13.01 | − 14.82 | −14.24 | −13.36 | − 14.37 | − 12.51 | −15.49 | −13.82 |
JaK-3 | −13.25 | − 14.81 | − 13.43 | − 14.571 | −14.94 | − 14.86 | − 13.99 | −13.24 | −14.77 | − 12.59 | −15.15 | − 13.51 |
P38MAPK | − 14.25 | − 15.06 | − 14.39 | − 13.181 | − 15.53 | −13.43 | −14.13 | − 13.67 | −14.47 | −13.29 | − 14.44 | −14.97 |
PDE-4 | −13.99 | − 13.98 | − 12.06 | − 14.206 | − 12.60 | −12.79 | − 12.49 | − 13.29 | −14.41 | − 11.90 | − 13.63 | − 13.05 |
PAD | −13.98 | −18.23 | − 15.86 | − 15.212 | − 15.48 | − 15.44 | −14.84 | − 15.67 | − 15.62 | − 15.37 | −15.34 | −14.89 |
Pim-1 Kinase | −16.99 | − 16.47 | − 17.29 | − 16.500 | − 19.08 | − 17.33 | − 17.48 | −17.19 | −14.68 | −16.44 | − 16.83 | −16.18 |
PKC | −17.21 | − 18.03 | −16.37 | − 16.529 | − 17.49 | − 16.66 | −16.51 | − 16.70 | −16.80 | − 16.32 | − 18.15 | − 17.22 |
RAC-1 | −19.61 | −18.20 | − 18.88 | − 19.022 | − 20.14 | − 20.24 | − 20.91 | − 18.15 | −18.59 | − 17.15 | − 18.70 | − 19.34 |
S1PR | −20.31 | − 22.28 | − 20.05 | −20.333 | −19.66 | − 20.38 | − 21.78 | − 18.98 | −20.00 | −18.30 | −21.90 | − 20.27 |
SPK | −12.82 | −15.32 | − 13.63 | − 12.929 | − 14.66 | − 13.19 | − 13.98 | − 11.56 | −15.10 | − 13.95 | − 13.77 | − 12.36 |
TNF-α | − 13.10 | − 13.36 | − 11.47 | −12.485 | − 12.24 | −12.44 | − 11.95 | − 12.51 | − 11.97 | −12.41 | − 12.00 | −11.96 |