Literature summary for 3.4.22.B80 extracted from

Lewis, D.S.M.; Ho, J.; Wills, S.; Kawall, A.; Sharma, A.; Chavada, K.; Ebert, M.C.C.J.C.; Evoli, S.; Singh, A.; Rayalam, S.; Mody, V.; Taval, S.
Aloin isoforms (A and B) selectively inhibits proteolytic and deubiquitinating activity of papain like protease (PLpro) of SARS-CoV-2 in vitro (2022), Sci. Rep., 12, 2145 .

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Inhibitors

Inhibitors	Comment	Organism	Structure
aloin A	active ingredient in the oral mouth rinse products, hydrogen bonds with Tyr268 of PLpro, which is critical for their proteolytic activity, and has interactions with Glu167, which is required for PLpro deubiquitination activity. Aloin A also exhibits deubiquitination inhibitory activity	Severe acute respiratory syndrome coronavirus 2
aloin B	active ingredient in the oral mouth rinse products, hydrogen bonds with Tyr268 of PLpro, which is critical for their proteolytic activity, and has interactions with Glu167, which is required for PLpro deubiquitination activity. Aloin B also exhibits deubiquitination inhibitory activity	Severe acute respiratory syndrome coronavirus 2
additional information	not inhibitory: chlorhexidine, eucalyptol, hexetidine, menthol, triclosan, methyl salicylate, sodium fluoride and povidone	Severe acute respiratory syndrome coronavirus 2

Organism

Organism	UniProt	Comment	Textmining
Severe acute respiratory syndrome coronavirus 2	-	-	-

Synonyms

Synonyms	Comment	Organism
PLpro	-	Severe acute respiratory syndrome coronavirus 2

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.0132	-	25°C, pH not specified in the publication	Severe acute respiratory syndrome coronavirus 2	aloin A
0.0161	-	25°C, pH not specified in the publication	Severe acute respiratory syndrome coronavirus 2	aloin B

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Release 2023.1 (January 2023)