PropertyValue
?:abstract
  • The number of cases of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection (COVID-19) has reached over 114,000 SARS-CoV-2 caused a pandemic in Wuhan, China, in December 2019 and is rapidly spreading globally It has been reported that peptide-like anti-HIV-1 drugs are effective against a SARS-CoV /a Main protease (M supro /su) Due to the close phylogenetic relationshibetween SARS-CoV and SARS-CoV-2, their main proteases share many structural and functional features Thus, these drugs are also regarded as potential drug candidates targeting SARS-CoV-2 M supro /su However, the mechanism of action of SARS-CoV-2 M supro /suat the atomic-level is unknown In the present study, we revealed key interactions between SARS-CoV-2 M supro /suand three drug candidates by performing pharmacophore modeling and 1μs molecular dynamics (MD) simulations His41, Gly143, and Glu166 formed interactions with the functional groups that were common among peptide-like inhibitors in all MD simulations These interactions are important targets for potential drugs against SARS-CoV-2 M supro /su
is ?:annotates of
?:creator
?:license
  • unk
?:publication_isRelatedTo_Disease
?:source
  • WHO
?:title
  • Identification of Key Interactions Between SARS-CoV-2 Main Protease and Inhibitor Drug Candidates
?:type
?:who_covidence_id
  • #345
?:year
  • 2020

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