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Literature summary for 2.7.2.3 extracted from

  • Kotsikorou, E.; Sahota, G.; Oldfield, E.
    Bisphosphonate inhibition of phosphoglycerate kinase: quantitative structure-activity relationship and pharmacophore modeling investigation (2006), J. Med. Chem., 49, 6692-6703.
    View publication on PubMed

Application

Application Comment Organism
analysis computational docking method for analysis of the docking of both aromatic and aliphatic bisphosphonates to the Trypanosoma brucei PGK Trypanosoma brucei
analysis first quantitative analysis of the binding of alkyl bisphosphonates to yeast PGK, with activities being predicted within, on average, a factor of 4 over a 2500x overall range in activity Saccharomyces cerevisiae
analysis first quantitative analysis of the inhibition of human phosphoglycerate kinase by aromatic bisphosphonates by 3D-QSAR (CoMFA, CoMSIA) and pharmacophore modeling methods Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
additional information aromatic bisphosphonate inhibitors Homo sapiens
additional information aliphatic bisphosphonate inhibitors Saccharomyces cerevisiae
additional information aromatic and aliphatic bisphosphonates Trypanosoma brucei

Metals/Ions

Metals/Ions Comment Organism Structure
Mg2+
-
Trypanosoma brucei

Organism

Organism UniProt Comment Textmining
Homo sapiens
-
-
-
Saccharomyces cerevisiae
-
-
-
Trypanosoma brucei P07378
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
ADP + 3-phospho-D-glyceroyl phosphate
-
Homo sapiens ATP + 3-phospho-D-glycerate
-
?
ADP + 3-phospho-D-glyceroyl phosphate
-
Saccharomyces cerevisiae ATP + 3-phospho-D-glycerate
-
?
ADP + 3-phospho-D-glyceroyl phosphate
-
Trypanosoma brucei ATP + 3-phospho-D-glycerate
-
?

Synonyms

Synonyms Comment Organism
3-phosphoglycerate kinase
-
Homo sapiens
3-phosphoglycerate kinase
-
Saccharomyces cerevisiae
3-phosphoglycerate kinase
-
Trypanosoma brucei
PGK
-
Homo sapiens
PGK
-
Saccharomyces cerevisiae
PGK
-
Trypanosoma brucei

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
additional information
-
IC50 values are predicted within a factor of ca. 4 over a 2500x range in activity Saccharomyces cerevisiae additional information
additional information
-
the IC50 values are predicted within a factor of 2 over the 240x experimental range in activity Homo sapiens additional information