Literature summary for 3.4.22.69 extracted from

Sharma, A.; Goyal, S.; Yadav, A.; Kumar, P.; Gupta, L.
In-silico screening of plant-derived antivirals against main protease, 3CLpro and endoribonuclease, NSP15 proteins of SARS-CoV-2 (2022), J. Biomol. Struct. Dyn., 40, 86-100 .

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Inhibitors

Inhibitors	Comment	Organism	Structure
bisdemethoxycurcumin	docking score -7.3 kcal/mol, forms hydrogen bonds with amino acid residues Lys290, Gly248, His235, Thr341, and Glu340	Severe acute respiratory syndrome coronavirus 2
demethoxycurcumin	docking score -7.02 kcal/mol, forms hydrogen bonds with residue His163	Severe acute respiratory syndrome coronavirus 2
myricetin	docking score -6.15 kcal/mol	Severe acute respiratory syndrome coronavirus 2
quercetin	docking score -6.58 kcal/mol, forms hydrogen bonds with residues Asn142, Gly143, Ser144, Leu141, Cys145, His41, and Thr26	Severe acute respiratory syndrome coronavirus 2
scutellarin	docking score -7.13 kcal/mol, forms hydrogen bonds with residues Gly143 and His163	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)