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Literature summary extracted from

  • Ding, D.; Meng, Q.; Gao, G.; Zhao, Y.; Wang, Q.; Nare, B.; Jacobs, R.; Rock, F.; Alley, M.R.; Plattner, J.J.; Chen, G.; Li, D.; Zhou, H.
    Design, synthesis, and structure-activity relationship of Trypanosoma brucei leucyl-tRNA synthetase inhibitors as antitrypanosomal agents (2011), J. Med. Chem., 54, 1276-1287.
    View publication on PubMed

Application

EC Number Application Comment Organism
6.1.1.4 drug development LeuRS is a potential target for antiparasitic drug development Trypanosoma brucei

Cloned(Commentary)

EC Number Cloned (Comment) Organism
6.1.1.4 LeuRS expression in Escherichia coli strain BL21(DE3)-RIPL Trypanosoma brucei

Inhibitors

EC Number Inhibitors Comment Organism Structure
6.1.1.4 (2E)-3-(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)-1-phenylprop-2-en-1-one
-
 Trypanosoma brucei
6.1.1.4 (2E)-3-(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-7-yl)-1-phenylprop-2-en-1-one
-
 Trypanosoma brucei
6.1.1.4 (E)-[3-(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-7-yl)]acrylic acid ethyl ester
-
 Trypanosoma brucei
6.1.1.4 1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl cyclohexylcarbamate
-
 Trypanosoma brucei
6.1.1.4 1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl phenylcarbamate
-
 Trypanosoma brucei
6.1.1.4 1-hydroxy-1,3-dihydro-2,1-benzoxaborole-7-carbaldehyde
-
 Trypanosoma brucei
6.1.1.4 1-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]-4-methylpentan-2-one
-
 Trypanosoma brucei
6.1.1.4 1-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]butan-2-one
-
 Trypanosoma brucei
6.1.1.4 1-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]pentan-2-one
-
 Trypanosoma brucei
6.1.1.4 2,1-benzoxaborol-1(3H)-ol
-
 Trypanosoma brucei
6.1.1.4 2,1-benzoxaborole-1,6(3H)-diol
-
 Trypanosoma brucei
6.1.1.4 2-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]pentan-3-one
-
 Trypanosoma brucei
6.1.1.4 2-[3-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]propyl]-1H-isoindole-1,3(2H)-dione
-
 Trypanosoma brucei
6.1.1.4 3-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]-3-methylbutan-2-one
-
 Trypanosoma brucei
6.1.1.4 3-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]-4-methylpentan-2-one
-
 Trypanosoma brucei
6.1.1.4 3-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]butan-2-one
-
 Trypanosoma brucei
6.1.1.4 3-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]heptan-4-one
-
 Trypanosoma brucei
6.1.1.4 3-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]hexan-2-one
-
 Trypanosoma brucei
6.1.1.4 3-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]pentan-2-one
-
 Trypanosoma brucei
6.1.1.4 6-(2,2-dimethoxyethoxy)-2,1-benzoxaborol-1(3H)-ol
-
 Trypanosoma brucei
6.1.1.4 6-(2-methoxyethoxy)-2,1-benzoxaborol-1(3H)-ol
-
 Trypanosoma brucei
6.1.1.4 6-(3-hydroxypropyl)-2,1-benzoxaborol-1(3H)-ol
-
 Trypanosoma brucei
6.1.1.4 6-(benzyloxy)-2,1-benzoxaborol-1(3H)-ol
-
 Trypanosoma brucei
6.1.1.4 6-(cyclohexylmethoxy)-2,1-benzoxaborol-1(3H)-ol
-
 Trypanosoma brucei
6.1.1.4 6-(propan-2-yloxy)-2,1-benzoxaborol-1(3H)-ol
-
 Trypanosoma brucei
6.1.1.4 6-(pyridin-2-ylmethoxy)-2,1-benzoxaborol-1(3H)-ol
-
 Trypanosoma brucei
6.1.1.4 6-(quinolin-2-yloxy)-2,1-benzoxaborol-1(3H)-ol
-
 Trypanosoma brucei
6.1.1.4 6-butoxy-2,1-benzoxaborol-1(3H)-ol
-
 Trypanosoma brucei
6.1.1.4 6-ethoxy-2,1-benzoxaborol-1(3H)-ol
-
 Trypanosoma brucei
6.1.1.4 6-propoxy-2,1-benzoxaborol-1(3H)-ol
-
 Trypanosoma brucei
6.1.1.4 6-[(2-fluorobenzyl)oxy]-2,1-benzoxaborol-1(3H)-ol
-
 Trypanosoma brucei
6.1.1.4 6-[(3-hydroxypentan-2-yl)oxy]-2,1-benzoxaborol-1(3H)-ol
-
 Trypanosoma brucei
6.1.1.4 7-(3-hydroxypropyl)-2,1-benzoxaborol-1(3H)-ol
-
 Trypanosoma brucei
6.1.1.4 ethyl (2E)-3-(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)prop-2-enoate
-
 Trypanosoma brucei
6.1.1.4 ethyl 2-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]-2-methylpropanoate
-
 Trypanosoma brucei
6.1.1.4 ethyl 2-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]butanoate
-
 Trypanosoma brucei
6.1.1.4 ethyl 2-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]propanoate
-
 Trypanosoma brucei
6.1.1.4 ethyl 3-(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)propanoate
-
 Trypanosoma brucei
6.1.1.4 ethyl 3-(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-7-yl)propanoate
-
 Trypanosoma brucei
6.1.1.4 ethyl [(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy](phenyl)acetate
-
 Trypanosoma brucei
6.1.1.4 ethyl [(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]acetate
-
 Trypanosoma brucei
6.1.1.4 methyl [(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]acetate
-
 Trypanosoma brucei
6.1.1.4 additional information enzyme drug inhibitor design and development based on the benzoxaborole structure, inhibitory potencies and effectiveness a anti-trypanosomal drugs, ligand, i.e. benzoxaborole-AMP, docking in the LeuRS homology model, overview Trypanosoma brucei
6.1.1.4 N-ethyl-2-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]acetamide
-
 Trypanosoma brucei
6.1.1.4 N-tert-butyl-2-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]acetamide
-
 Trypanosoma brucei
6.1.1.4 tert-butyl [(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]acetate
-
 Trypanosoma brucei
6.1.1.4 tert-butyl [2-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]ethyl]carbamate
-
 Trypanosoma brucei
6.1.1.4 [(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]acetaldehyde
-
 Trypanosoma brucei
6.1.1.4 [(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]acetic acid
-
 Trypanosoma brucei

Metals/Ions

EC Number Metals/Ions Comment Organism Structure
6.1.1.4 Mg2+
-
 Trypanosoma brucei

Natural Substrates/ Products (Substrates)

EC Number Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
6.1.1.4 ATP + L-leucine + tRNALeu Trypanosoma brucei
-
 AMP + diphosphate + L-leucyl-tRNALeu
-
 ?

Organism

EC Number Organism UniProt Comment Textmining
6.1.1.4 Trypanosoma brucei
-
-
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
6.1.1.4 ATP + L-leucine + tRNALeu
-
 Trypanosoma brucei AMP + diphosphate + L-leucyl-tRNALeu
-
 ?

Subunits

EC Number Subunits Comment Organism
6.1.1.4 More homology modelling of Trypanosoma brucei LeuRS editing domain CP1 using Candida albicans LeuRS CP1 domain as the template, PDB ID 2WFG Trypanosoma brucei

Synonyms

EC Number Synonyms Comment Organism
6.1.1.4 Leucyl-tRNA synthetase
-
 Trypanosoma brucei
6.1.1.4 LeuRS
-
 Trypanosoma brucei

Temperature Optimum [°C]

EC Number Temperature Optimum [°C] Temperature Optimum Maximum [°C] Comment Organism
6.1.1.4 37
-
 assay at Trypanosoma brucei

pH Optimum

EC Number pH Optimum Minimum pH Optimum Maximum Comment Organism
6.1.1.4 7.8
-
 assay at Trypanosoma brucei

Cofactor

EC Number Cofactor Comment Organism Structure
6.1.1.4 ATP
-
 Trypanosoma brucei

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
6.1.1.4 0.0016
-
 pH 7.8, 37°C Trypanosoma brucei ethyl 2-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]butanoate
6.1.1.4 0.0021
-
 pH 7.8, 37°C Trypanosoma brucei ethyl 2-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]-2-methylpropanoate
6.1.1.4 0.0025
-
 pH 7.8, 37°C Trypanosoma brucei 2-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]pentan-3-one
6.1.1.4 0.0028
-
 pH 7.8, 37°C Trypanosoma brucei ethyl 2-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]propanoate
6.1.1.4 0.0029
-
 pH 7.8, 37°C Trypanosoma brucei 3-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]heptan-4-one
6.1.1.4 0.0035
-
 pH 7.8, 37°C Trypanosoma brucei ethyl [(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]acetate
6.1.1.4 0.0035
-
 pH 7.8, 37°C Trypanosoma brucei 3-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]pentan-2-one
6.1.1.4 0.0036
-
 pH 7.8, 37°C Trypanosoma brucei methyl [(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]acetate
6.1.1.4 0.0038
-
 pH 7.8, 37°C Trypanosoma brucei 3-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]butan-2-one
6.1.1.4 0.0045
-
 pH 7.8, 37°C Trypanosoma brucei 3-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]-4-methylpentan-2-one
6.1.1.4 0.005
-
 pH 7.8, 37°C Trypanosoma brucei 3-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]-3-methylbutan-2-one
6.1.1.4 0.0074
-
 pH 7.8, 37°C Trypanosoma brucei tert-butyl [(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]acetate
6.1.1.4 0.013
-
 pH 7.8, 37°C Trypanosoma brucei 6-ethoxy-2,1-benzoxaborol-1(3H)-ol
6.1.1.4 0.0158
-
 pH 7.8, 37°C Trypanosoma brucei 6-(propan-2-yloxy)-2,1-benzoxaborol-1(3H)-ol
6.1.1.4 0.0167
-
 pH 7.8, 37°C Trypanosoma brucei ethyl 3-(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)propanoate
6.1.1.4 0.0221
-
 pH 7.8, 37°C Trypanosoma brucei 2,1-benzoxaborol-1(3H)-ol
6.1.1.4 0.0256
-
 pH 7.8, 37°C Trypanosoma brucei 6-[(2-fluorobenzyl)oxy]-2,1-benzoxaborol-1(3H)-ol
6.1.1.4 0.0272
-
 pH 7.8, 37°C Trypanosoma brucei 1-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]butan-2-one
6.1.1.4 0.0306
-
 pH 7.8, 37°C Trypanosoma brucei 6-(benzyloxy)-2,1-benzoxaborol-1(3H)-ol
6.1.1.4 0.0308
-
 pH 7.8, 37°C Trypanosoma brucei 1-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]pentan-2-one
6.1.1.4 0.0309
-
 pH 7.8, 37°C Trypanosoma brucei 2,1-benzoxaborole-1,6(3H)-diol
6.1.1.4 0.0309
-
 pH 7.8, 37°C Trypanosoma brucei 6-propoxy-2,1-benzoxaborol-1(3H)-ol
6.1.1.4 0.0314
-
 pH 7.8, 37°C Trypanosoma brucei 3-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]hexan-2-one
6.1.1.4 0.0323
-
 pH 7.8, 37°C Trypanosoma brucei 1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl cyclohexylcarbamate
6.1.1.4 0.0417
-
 pH 7.8, 37°C Trypanosoma brucei ethyl [(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy](phenyl)acetate
6.1.1.4 0.0431
-
 pH 7.8, 37°C Trypanosoma brucei 1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl phenylcarbamate
6.1.1.4 0.0543
-
 pH 7.8, 37°C Trypanosoma brucei 6-butoxy-2,1-benzoxaborol-1(3H)-ol
6.1.1.4 0.063
-
 pH 7.8, 37°C Trypanosoma brucei 6-(quinolin-2-yloxy)-2,1-benzoxaborol-1(3H)-ol
6.1.1.4 0.0676
-
 pH 7.8, 37°C Trypanosoma brucei 1-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]-4-methylpentan-2-one
6.1.1.4 0.0713
-
 pH 7.8, 37°C Trypanosoma brucei 6-(2,2-dimethoxyethoxy)-2,1-benzoxaborol-1(3H)-ol
6.1.1.4 0.0777
-
 pH 7.8, 37°C Trypanosoma brucei N-ethyl-2-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]acetamide
6.1.1.4 0.1
-
 above, I114pH 7.8, 37°C Trypanosoma brucei N-tert-butyl-2-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]acetamide
6.1.1.4 0.1
-
 above, pH 7.8, 37°C Trypanosoma brucei 6-(pyridin-2-ylmethoxy)-2,1-benzoxaborol-1(3H)-ol
6.1.1.4 0.1
-
 above, pH 7.8, 37°C Trypanosoma brucei 2-[3-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]propyl]-1H-isoindole-1,3(2H)-dione
6.1.1.4 0.1
-
 above, pH 7.8, 37°C Trypanosoma brucei 6-(cyclohexylmethoxy)-2,1-benzoxaborol-1(3H)-ol
6.1.1.4 0.1
-
 above, pH 7.8, 37°C Trypanosoma brucei [(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]acetic acid
6.1.1.4 0.1
-
 above, pH 7.8, 37°C Trypanosoma brucei [(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]acetaldehyde
6.1.1.4 0.1
-
 above, pH 7.8, 37°C Trypanosoma brucei tert-butyl [2-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]ethyl]carbamate
6.1.1.4 0.1
-
 above, pH 7.8, 37°C Trypanosoma brucei 6-(2-methoxyethoxy)-2,1-benzoxaborol-1(3H)-ol
6.1.1.4 0.1
-
 above, pH 7.8, 37°C Trypanosoma brucei 6-[(3-hydroxypentan-2-yl)oxy]-2,1-benzoxaborol-1(3H)-ol
6.1.1.4 0.209
-
 pH 7.8, 37°C Trypanosoma brucei (2E)-3-(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)-1-phenylprop-2-en-1-one
6.1.1.4 0.412
-
 pH 7.8, 37°C Trypanosoma brucei (2E)-3-(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-7-yl)-1-phenylprop-2-en-1-one
6.1.1.4 0.541
-
 pH 7.8, 37°C Trypanosoma brucei 7-(3-hydroxypropyl)-2,1-benzoxaborol-1(3H)-ol
6.1.1.4 0.578
-
 pH 7.8, 37°C Trypanosoma brucei ethyl (2E)-3-(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)prop-2-enoate
6.1.1.4 0.688
-
 pH 7.8, 37°C Trypanosoma brucei 6-(3-hydroxypropyl)-2,1-benzoxaborol-1(3H)-ol
6.1.1.4 1
-
 above, pH 7.8, 37°C Trypanosoma brucei (E)-[3-(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-7-yl)]acrylic acid ethyl ester
6.1.1.4 1
-
 above, pH 7.8, 37°C Trypanosoma brucei ethyl 3-(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-7-yl)propanoate