Literature summary for 4.2.2.1 extracted from
Botzki, A.; Salmen, S.; Bernhardt, G.; Buschauer, A.; Dove, S.
Structure-based design of bacterial hyaluronan lyase inhibitors (2005), QSAR Comb. Sci., 24, 458-469.
No PubMed abstract available
Application
Application |
Comment |
Organism |
pharmacology |
the enzyme is a target for structure-based design of selective inhibitors as drugs in bacterial infection therapy |
Streptococcus agalactiae |
Inhibitors
Inhibitors |
Comment |
Organism |
Structure |
(2E)-1-furan-2-yl-3-(4-nitrophenyl)prop-2-en-1-one |
IC50 at enzyme optimum pH 5.0 is 0.31 mM, and 0.16 mM at physiological pH 7.4 |
Streptococcus agalactiae |
|
1,3-diacetyl-benzimidazole-2-thione |
IC50 at enzyme optimum pH 5.0 is 0.16 mM, and 0.005 mM at physiological pH 7.4 |
Streptococcus agalactiae |
|
2,2'-benzene-1,4-diyldiacetic acid |
IC50 at enzyme optimum pH 5.0 is 0.37 mM, and 0.90 mM at physiological pH 7.4 |
Streptococcus agalactiae |
|
additional information |
structure-based design of bacterial hyaluronan lyase inhibitors, combinatorial chemistry database and crystal structure, method, overview |
Streptococcus agalactiae |
|
Organism
Organism |
UniProt |
Comment |
Textmining |
Streptococcus agalactiae |
Q53591 |
strain 4755 |
- |
Synonyms
Synonyms |
Comment |
Organism |
hylB4755 |
- |
Streptococcus agalactiae |
pH Optimum
pH Optimum Minimum |
pH Optimum Maximum |
Comment |
Organism |
5 |
- |
- |
Streptococcus agalactiae |
IC50 Value
IC50 Value |
IC50 Value Maximum |
Comment |
Organism |
Inhibitor |
Structure |
0.005 |
0.16 |
IC50 at enzyme optimum pH 5.0 is 0.16 mM, and 0.005 mM at physiological pH 7.4 |
Streptococcus agalactiae |
1,3-diacetyl-benzimidazole-2-thione |
|
0.16 |
0.31 |
IC50 at enzyme optimum pH 5.0 is 0.31 mM, and 0.16 mM at physiological pH 7.4 |
Streptococcus agalactiae |
(2E)-1-furan-2-yl-3-(4-nitrophenyl)prop-2-en-1-one |
|
0.9 |
0.37 |
IC50 at enzyme optimum pH 5.0 is 0.37 mM, and 0.90 mM at physiological pH 7.4 |
Streptococcus agalactiae |
2,2'-benzene-1,4-diyldiacetic acid |
|