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Identification of repurposing therapeutics toward SARS-CoV-2 main protease by virtual screening

30 Jun 2022

Abstract excerpt

SARS-CoV-2 causes the current global pandemic coronavirus disease 2019. Widely-available effective drugs could be a critical factor in halting the pandemic. The main protease (3CLpro) plays a vital role in viral replication; therefore, it is of great interest to find inhibitors for this enzyme. We applied the combination of virtual screening based on molecular docking derived from the crystal structure of the...

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PMID: 35771802
DOI: 10.1371/journal.pone.0269563

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