Literature summary for 3.4.22.69 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 .

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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-neohesperidoside-7-rhamnoside	binding affinity -8.8 kcal/mol, aditionally binds to viral protease PLpro	Severe acute respiratory syndrome coronavirus 2
quercetin-3-[rhamnosyl-(1->2)-alpha-L-arabinopyranoside]	binding affinity -8.8 kcal/mol, aditionally binds to viral protease PLpro	Severe acute respiratory syndrome coronavirus 2
remdesivir	binding affinity -6.4 kcal/mol, aditionally binds to viral protease PLpro	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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Release 2023.1 (January 2023)