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Literature summary for 3.4.22.69 extracted from

  • Ton, A.T.; Gentile, F.; Hsing, M.; Ban, F.; Cherkasov, A.
    Rapid identification of potential inhibitors of SARS-CoV-2 main protease by deep docking of 1.3 billion compounds (2020), Mol. Inform., 39, e2000028.
    View publication on PubMed

Organism

Organism UniProt Comment Textmining
Severe acute respiratory syndrome coronavirus 2 MN908947 i.e. SARS-CoV-2
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Synonyms

Synonyms Comment Organism
Mpro
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Severe acute respiratory syndrome coronavirus 2
SARS-CoV-2 main protease
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Severe acute respiratory syndrome coronavirus 2

General Information

General Information Comment Organism
drug target the use of the deep learning platform Deep Docking in conjunction with a docking program allows rapid estimation of docking scores for 1.3 billion chemical structures into an active site of novel SARS-CoV-2 Mpro. The candidate inhibitors in the top-1000 hit list are chemically diverse, exhibit superior docking scores compared to known protease inhibitors. The structures of the identified compounds are made publicly available should facilitate efforts in rapid development of suitable drug candidates against COVID-19 Severe acute respiratory syndrome coronavirus 2