PropertyValue
?:abstract
  • In silico drug design can play a vital role in identifying promising drug candidates against COVID-19 Herein, we focused on the main protease of SARS-CoV-2 that plays crucial biological functions in the virus We performed a ligand-based virtual screening followed by a docking screening for testing approved drugs and bioactive compounds listed in the DrugBank and ChEMBL databases The to8 docking results were advanced to all-atom MD simulations to study the relative stability of the protein-ligand interactions Our results suggest several promising approved and bioactive inhibitors of SARS-CoV-2 Mpro
is ?:annotates of
?:creator
?:license
  • unk
?:publication_isRelatedTo_Disease
?:source
  • WHO
?:title
  • Computational Design of Potent Inhibitors for SARS-CoV-2’s Main Protease
?:type
?:who_covidence_id
  • #2
?:year
  • 2020

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