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The main reasons for the ongoing COVID-19 (coronavirus disease 2019) pandemicare the unavailability of recommended efficacious drugs or vaccines along withthe human to human transmission nature of SARS-CoV-2 virus. So, there is urgentneed to search appropriate therapeutic approach by repurposing approved drugs.In this communication, molecular docking analyses of two influenza antiviraldrugs baloxavir acid (BXA) and baloxavir marboxil (BXM) were performed with thethree therapeutic target proteins of severe acute respiratory syndromecoronavirus 2 (SARS-CoV-2), i.e., main protease (Mpro), papain-like protease(PLpro) and RNA-dependent RNA polymerase (RdRp). The molecular docking resultsof both the drugs BXA and BXM were analysed and compared. The investigationaldrug BXA binds at the active site of Mpro and RdRp, whereas the approved drugBXM binds only at the active site of RdRp. Also, comparison of dock scorerevealed that BXA is binding more effectively at the active site of RdRp thanBXM. The computational molecular docking revealed that the drug BXA may be moreeffective against COVID-19 as compared to BXM.

Computational evidence on repurposing the anti-influenza drugs baloxavir acid and baloxavir marboxil against COVID-19