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Literature summary for 3.4.22.B80 extracted from

  • Bhattacharya, K.; Bordoloi, R.; Chanu, N.R.; Kalita, R.; Sahariah, B.J.; Bhattacharjee, A.
    In silico discovery of 3 novel quercetin derivatives against papain-like protease, spike protein, and 3C-like protease of SARS-CoV-2 (2022), J. Gen. Eng. Biotechnol., 20, 43 .
    View publication on PubMedView publication on EuropePMC
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Inhibitors

Inhibitors Comment Organism Structure
additional information identification of quercetin derivatives as inhibitors based on molecular docking and dynamics simulation studies Severe acute respiratory syndrome coronavirus 2
quercetin 3-O-arabinoside 7-O-rhamnoside binding affinity -8.2 kcal/mol Severe acute respiratory syndrome coronavirus 2
remdesivir binding affinity -5.8 kcal/mol, aditionally binds to viral protease 3CLpro Severe acute respiratory syndrome coronavirus 2

Organism

Organism UniProt Comment Textmining
Severe acute respiratory syndrome coronavirus 2 P0C6U8 replicase polyprotein 1a
-