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Literature summary for 3.4.21.B60 extracted from

  • Fujimoto, K.J.; Hobbs, D.C.F.; Umeda, M.; Nagata, A.; Yamaguchi, R.; Sato, Y.; Sato, A.; Ohmatsu, K.; Ooi, T.; Yanai, T.; Kimura, H.; Murata, T.
    In silico analysis and synthesis of nafamostat derivatives and evaluation of their anti-SARS-CoV-2 activity (2022), Viruses, 14, 389 .
    View publication on PubMedView publication on EuropePMC
Search for more literature for 3.4.21.B60

Inhibitors

Inhibitors Comment Organism Structure
6-carbamimidoylnaphthalen-2-yl 2-chloro-4-[(diaminomethylidene)amino]benzoate variant of inhibitors nafamostat, predicted binding energy -174.16 kcal/mol. EC50 value for inhibition of cytopathic effect caused by SARS-CoV-2 infection is 8 nM Homo sapiens
6-carbamimidoylnaphthalen-2-yl 4-[(diaminomethylidene)amino]-2-methylbenzoate variant of inhibitors nafamostat, predicted binding energy -172.38 kcal/mol. EC50 value for inhibition of cytopathic effect caused by SARS-CoV-2 infection is 15 nM Homo sapiens
6-carbamimidoylnaphthalen-2-yl 4-[(diaminomethylidene)amino]-3-methylbenzoate variant of inhibitors nafamostat, predicted binding energy -178.94 kcal/mol. EC50 value for inhibition of cytopathic effect caused by SARS-CoV-2 infection is 9.6 nM Homo sapiens
camostat residues Asp435 and Glu299 significantly contribute to the binding. EC50 value for inhibition of cytopathic effect caused by SARS-CoV-2 infection is 66 nM Homo sapiens
additional information synthesis of variants of inhibitors nafamostat and camostat. Their predicted binding affinity does not correlate with their anti-SARS-CoV-2 activity. The substitution of the ester bond with an amide bond in nafamostat results in significantly weakened anti-SARS-CoV-2 activity Homo sapiens
N-(6-carbamimidoylnaphthalen-2-yl)-4-[(diaminomethylidene)amino]benzamide variant of inhibitors nafamostat, predicted binding energy -179.65 kcal/mol. EC50 value for inhibition of cytopathic effect caused by SARS-CoV-2 infection is 17 nM Homo sapiens
N-(6-cyanonaphthalen-2-yl)-4-[(diaminomethylidene)amino]benzamide variant of inhibitors nafamostat, predicted binding energy -127.92 kcal/mol Homo sapiens
Nafamostat formation of a covalent bond between its acyl substructure and Ser441 in TMPRSS2. Residue Asp435 significantly contributes to the binding. EC50 value for inhibition of cytopathic effect caused by SARS-CoV-2 infection is 11 nM Homo sapiens

Organism

Organism UniProt Comment Textmining
Homo sapiens O15393
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