“…As expected, the Vina docking scores for ATP in the apo-models were significantly worse (−7.1, −7.8, −8.1, −7.1) than the score for that of the complex-based target (−9.3), indicating that the apo-models were not an ATP-binding competent. The top-scoring hits in these apo-Nsp13 ATP-binding sites ( Figure 3 , Table S5 ) include Cepharanthine, 16 Cefoperazone, 17 Dihydroergotamine, 18 Cefpiramide, 19 Ergoloid (Dihydroergocristine (DHEC)), 20 Ergotamine, 21 Netupitant, 22 Dpnh (NADH), Lifitegrast, 23 Nilotinib, 24 and Tubocurarin. 25 The top-scoring hit Cepharanthine (CEP) is an anti-inflammatory drug used in Japan since the 1950s to treat a number of acute and chronic diseases, including the treatment of leukopenia and alopecia.…”