Pharmacoinformatics and molecular dynamics simulation studies reveal potential covalent and FDA-approved inhibitors of SARS-CoV-2 main protease 3CLpro

MA Alamri, Tahir ul Qamar M, MU Mirza, R Bhadane, SM Alqahtani, I Muneer, M Froeyen, Outi Salo-Ahen

Research output: Contribution to journalArticleScientificpeer-review

7 Citations (Scopus)
Original languageEnglish
Pages (from-to)
JournalJournal of Biomolecular Structure and Dynamics
DOIs
Publication statusPublished - 2020
MoE publication typeA1 Journal article-refereed

Keywords

  • SARS-CoV-2
  • COVID-19
  • covalent inhibitors
  • 3CL protease
  • molecular dynamics simulation

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