In Silico Screening and Testing of FDA-Approved Small Molecules to Block SARS-CoV-2 Entry to the Host Cell by Inhibiting Spike Protein Cleavage

E. Sila Ozdemir, Hillary H. Le, Adem Yildirim, Srivathsan V. Ranganathan

Research output: Contribution to journalArticlepeer-review

1 Scopus citations

Abstract

The COVID-19 pandemic began in 2019, but it is still active. The development of an effective vaccine reduced the number of deaths; however, a treatment is still needed. Here, we aimed to inhibit viral entry to the host cell by inhibiting spike (S) protein cleavage by several proteases. We developed a computational pipeline to repurpose FDA-approved drugs to inhibit protease activity and thus prevent S protein cleavage. We tested some of our drug candidates and demonstrated a decrease in protease activity. We believe our pipeline will be beneficial in identifying a drug regimen for COVID-19 patients.

Original languageEnglish (US)
Article number1129
JournalViruses
Volume14
Issue number6
DOIs
StatePublished - Jun 2022

Keywords

  • SARS-CoV-2
  • drug repurposing
  • in silico screening
  • molecular modeling
  • proteases

ASJC Scopus subject areas

  • Infectious Diseases
  • Virology

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