Characterization of the NiRAN domain from RNA-dependent RNA polymerase provides insights into a potential therapeutic target against SARS-CoV-2
Fig 3
The active site of CoV-2-RdRp NiRAN domain binds kinase inhibitors.
(A, C and E) Broad specificity kinase inhibitors bind within the predicted NiRAN active site with significantly low free binding energies. (Blue indicates positively charged regions, red indicates negatively charged regions and green indicates neutral regions, grey indicates regions beyond GTP-binding pocket): (A) Sunitinib within the active site pocket; (B) Sorafenib within the active site pocket; and (C) SU6656 within the active site pocket. The kinases inhibitors demonstrate H-bond interactions between with the enzymatically critical aspartate and lysine residues lining the active site- (A’) Sunitinib; (B’) Sorafenib; and (C’) SU6656.