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The COVID-19 pandemic speaks to the need for drugs that are not only effective but also remain so given the mutation rate of COVID-19 To this end, we describe a strategy to design potential drugs that target RNA-dependent RNA polymerase (RDRP), a common conserved component of RNA viruses We combine an RDRstructure dataset and all RDRP-ligand interaction fingerprints into an RDRP-targeted drug discovery procedure In so doing we reveal the ligand-binding modes and RDRstructural characteristics Specifically, four types of binding modes with corresponding binding pockets were determined, suggesting two major potential sub-pockets available for drug discovery We screened a drug dataset of approximately 8,000 compounds against these binding pockets and presented the toten small molecules as a starting point in further exploring the prevention of virus replication In summary, the binding characteristics determined here helrationalize RDRtargeted drug discovery and provide insights into the specific binding mechanisms
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Structural insights into the binding modes of viral RNA-dependent RNA polymerases using a function-site interaction fingerprint method for RNA virus drug discovery
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