Any feedback?
Please rate this page
(literature.php)
(0/150)

BRENDA support

Literature summary for 3.4.17.23 extracted from

  • Pei, G.; Xu, W.; Lan, J.; Wang, X.; Li, P.
    CEBIT screening for inhibitors of the interaction between SARS-CoV-2 spike and ACE2 (2022), Fundam. Res., 2, 562-569 .
No PubMed abstract available
Search for more literature for 3.4.17.23

Application

Application Comment Organism
analysis application of CEBIT, i.e. Condensate-aided Enrichment of Biomolecular Interactions in Test tubes for high-throughput screening of drugs to inhibit the interaction between the receptor-binding domain of SARS-CoV-2 spike protein and its obligate receptor ACE2 Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
methylene blue binding energy -4.89 kcal/mol, KD value 0.621mM Homo sapiens
quercetin KD value 0.130 mM Homo sapiens
Quinacrine KD value 0.102 mM Homo sapiens
sennoside A binding energy -4.51 kcal/mol, KD value 0.041 mM Homo sapiens
sunitinib KD value 0.781 mM Homo sapiens
varenicline binding energy -4.42 kcal/mol, KD value 0.017 mM Homo sapiens

Organism

Organism UniProt Comment Textmining
Homo sapiens Q9BYF1
-
-

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.27
-
 predicted value, pH not specified in the publication, temperature not specified in the publication Homo sapiens varenicline
0.494
-
 predicted value, pH not specified in the publication, temperature not specified in the publication Homo sapiens sennoside A
0.577
-
 predicted value, pH not specified in the publication, temperature not specified in the publication Homo sapiens methylene blue