Background The Severe acute respiratory syndrome-related coronavirus 2 (SARS-CoV-2) outbreak originating in Wuhan, China, has raised global health concerns and the pandemic has now been reported on all inhabited continents. Hitherto, no antiviral drug is available to combat this viral outbreak. Methods Keeping in mind the urgency of the situation, the current study was designed to devise new strategies for drug discovery and/or repositioning against SARS-CoV-2. In the current study, RNA-dependent RNA polymerase (RdRp), which regulates viral replication, is proposed as a potential therapeutic target to inhibit viral infection. Results Evolutionary studies of whole-genome sequences of SARS-CoV-2 represent high similarity (> 90%) with other SARS viruses. Targeting the RdRp active sites, ASP760 and ASP761, by antiviral drugs could be a potential therapeutic option for inhibition of coronavirus RdRp, and thus viral replication. Target-based virtual screening and molecular docking results show that the antiviral Galidesivir and its structurally similar compounds have shown promise against SARS-CoV-2. Conclusions The anti-polymerase drugs predicted here—CID123624208 and CID11687749—may be considered for in vitro and in vivo clinical trials.
【저자키워드】 SARS-CoV-2, molecular docking, RdRP, homology modeling, Phylogenetic tree, active site, 【초록키워드】 viral infection, coronavirus, pandemic, Drug discovery, Antiviral, clinical trials, Virtual screening, in vitro, antiviral drug, Health, outbreak, viral replication, RNA-dependent RNA polymerase, in vivo, regulate, similarity, therapeutic option, active sites, Galidesivir, Compound, urgency, SARS viruses, viral outbreak, potential therapeutic target, targeting, Whole-genome sequence, Wuhan, China, Result, shown, predicted, reported, inhibit, raised, anti-polymerase drug, Keeping, 【제목키워드】 RNA-dependent RNA polymerase, approach, therapeutic drug,