Literature summary for 3.4.22.69 extracted from

Chen, Y.; Yang, W.; Chen, H.; Huang, L.; Gao, J.; Lin, C.; Wang, Y.; Yang, C.; Liu, Y.; Hou, M.; Tsai, C.; Chou, Y.; Huang, B.; Hung, C.; Hung, Y.; Wang, W.; Su, W.; Kumar, V.; Wu, Y.; Chao, S.; Chang, C.; Chen, J.; Chiang, Y.; Cho, D.; Jeng, L.; Tsai, C.
Tafenoquine and its derivatives as inhibitors for the severe acute respiratory syndrome coronavirus 2 (2022), J. Biol. Chem., 298, 101658 .

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Crystallization (Commentary)

Crystallization (Comment)	Organism
structure of SARS-CoV-2 Mpro in complex with antimalarial drug tafenoquine. Tafenoquine noncovalently binds to and reshapes the substrate-binding pocket of Mpro by altering the loop region (residues 139-144) near the catalytic Cys145, which could block the catalysis of its peptide substrates	Severe acute respiratory syndrome coronavirus 2

Inhibitors

Inhibitors	Comment	Organism	Structure
tafenoquine	8-aminoquinoline antimalarial drug, directly inhibits SARS-CoV-2 Mpro in vitro. Tafenoquine binding reduces the helical content but also induces local conformational changes in SARS-CoV-2 Mpro, resulting in resistance to trypsin digestion. Tafenoquine inhibits SARS-CoV-2 production in a cell culture system	Severe acute respiratory syndrome coronavirus 2

Organism

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

Synonyms

Synonyms	Comment	Organism
Mpro	-	Severe acute respiratory syndrome coronavirus 2

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.0318	-	pH 7.8, 25°C	Severe acute respiratory syndrome coronavirus 2	tafenoquine

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Release 2023.1 (January 2023)