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Literature summary for 3.4.22.B5 extracted from

  • Schroeder, J.; Noack, S.; Marhoefer, R.J.; Mottram, J.C.; Coombs, G.H.; Selzer, P.M.
    Identification of semicarbazones, thiosemicarbazones and triazine nitriles as inhibitors of Leishmania mexicana cysteine protease CPB (2013), PLoS ONE, 8, e77460.
    View publication on PubMedView publication on EuropePMC
Search for more literature for 3.4.22.B5

Cloned(Commentary)

Cloned (Comment) Organism
recombinant expression of the amastigote-specific isoform CPB2.8, expressed without the C-terminal extension, termed CPB2.8DEKTACTE Leishmania mexicana

Inhibitors

Inhibitors Comment Organism Structure
2-phenyl-1H-indole-3-carbaldehyde thiosemicarbazone a thiosemicarbazon Leishmania mexicana
3-[(1H-benzimidazol-2-yl)-2H-1-benzopyran-2-ylidene]-2-carbaldehyde semicarbazone a semicarbazone Leishmania mexicana
4-(cyclohexylamino)-6-[(2-methoxy-3-pyridinyl)amino]-1,3,5-triazine-2-carbonitrile a nitrile Leishmania mexicana
5-(4-methoxy-phenyl)-2-furanyl-2-carbaldehyde thiosemicarbazone a thiosemicarbazon Leishmania mexicana
additional information high throughput screening of a compound library, identification of inhibitors containing the warhead-types semicarbazone, thiosemicarbazone and triazine nitrile, that can be used as leads for antiparasite drug design, docking study, overview Leishmania mexicana

Organism

Organism UniProt Comment Textmining
Leishmania mexicana
-
-
-

Source Tissue

Source Tissue Comment Organism Textmining
amastigote
-
 Leishmania mexicana
-

Synonyms

Synonyms Comment Organism
CPB2.8
-
 Leishmania mexicana
cysteine protease CPB
-
 Leishmania mexicana

Temperature Optimum [°C]

Temperature Optimum [°C] Temperature Optimum Maximum [°C] Comment Organism
22
-
 assay at Leishmania mexicana

pH Optimum

pH Optimum Minimum pH Optimum Maximum Comment Organism
7.4
-
 assay at Leishmania mexicana

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.000005
-
 3-[(1H-benzimidazol-2-yl)-2H-1-benzopyran-2-ylidene]-2-carbaldehyde semicarbazone truncated enzyme mutant CPB2.8DEKTACTE, pH 7.4, 22°C Leishmania mexicana
0.00004
-
 5-(4-methoxy-phenyl)-2-furanyl-2-carbaldehyde thiosemicarbazone truncated enzyme mutant CPB2.8DEKTACTE, pH 7.4, 22°C Leishmania mexicana
0.00004
-
 2-phenyl-1H-indole-3-carbaldehyde thiosemicarbazone truncated enzyme mutant CPB2.8DEKTACTE, pH 7.4, 22°C Leishmania mexicana
0.00057
-
 4-(cyclohexylamino)-6-[(2-methoxy-3-pyridinyl)amino]-1,3,5-triazine-2-carbonitrile truncated enzyme mutant CPB2.8DEKTACTE, pH 7.4, 22°C Leishmania mexicana

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.00001
-
 truncated enzyme mutant CPB2.8DEKTACTE, pH 7.4, 22°C Leishmania mexicana 3-[(1H-benzimidazol-2-yl)-2H-1-benzopyran-2-ylidene]-2-carbaldehyde semicarbazone
0.00006
-
 truncated enzyme mutant CPB2.8DEKTACTE, pH 7.4, 22°C Leishmania mexicana 2-phenyl-1H-indole-3-carbaldehyde thiosemicarbazone
0.00007
-
 truncated enzyme mutant CPB2.8DEKTACTE, pH 7.4, 22°C Leishmania mexicana 5-(4-methoxy-phenyl)-2-furanyl-2-carbaldehyde thiosemicarbazone
0.0011
-
 truncated enzyme mutant CPB2.8DEKTACTE, pH 7.4, 22°C Leishmania mexicana 4-(cyclohexylamino)-6-[(2-methoxy-3-pyridinyl)amino]-1,3,5-triazine-2-carbonitrile

General Information

General Information Comment Organism
additional information recombinant enzyme mutant CPB2.8DEKTACTE structure homology modeling using 1.75 A resolution crystal structure of cruzain complexed with the irreversible fluoromethyl ketone inhibitor Mor-Leu-Hpq was used as a template, PDB ID 1EWP, overview Leishmania mexicana