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Literature summary for 3.4.22.69 extracted from

  • Swargiary, A.; Mahmud, S.; Saleh, M.
    Screening of phytochemicals as potent inhibitor of 3-chymotrypsin and papain-like proteases of SARS-CoV2 an in silico approach to combat COVID-19 (2022), J. Biomol. Struct. Dyn., 40, 2067-2081 .
    View publication on PubMedView publication on EuropePMC
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Inhibitors

Inhibitors Comment Organism Structure
amentoflavone binding affinity -9.4 kcal/mol, ligand induces conformational changes in the protein with decreased surface area and higher stability. Compound possess promising druglikeness properties Severe acute respiratory syndrome coronavirus 2
gallocatechin gallate binding affinity -9.4 kcal/mol, ligand induces conformational changes in the protein with decreased surface area and higher stability. Compound possess promising druglikeness properties Severe acute respiratory syndrome coronavirus 2
kazinol-A good binding affinity Severe acute respiratory syndrome coronavirus 2
savinin good binding affinity Severe acute respiratory syndrome coronavirus 2
theaflavin-3,3-digallate good binding affinity Severe acute respiratory syndrome coronavirus 2

Organism

Organism UniProt Comment Textmining
Severe acute respiratory syndrome coronavirus 2 P0DTD1 replicase polyprotein 1ab
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