Application | Comment | Organism |
---|---|---|
drug development | PPDK is a good target in design of antiparasitic agents | Entamoeba histolytica |
pharmacology | drug design, in silico studies on stereo chemical quality of PPDK protein structure, interaction studies to identify promising ligands to inhibit the function of PPDK, possibility of using proposed ligands as inhibitors for intestinal infections caused by Entamoeba histolytica in humans and for related pathogens, virtual screening of ligands to inhibit PPDK by docking studies using compound input libraries, phylogenetic trees of pathogens as further targets for in silico drug design to inhibit PPDK | Entamoeba histolytica |
Cloned (Comment) | Organism |
---|---|
phylogenetic analysis | Entamoeba histolytica |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
(1-benzenesulfonyl-pyrrolidin-2-yl)-(3,5-dimethyl-4-p-tolylsulfanyl-pyrazol-1-yl)-methanone | - |
Entamoeba histolytica | |
(7-benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylsulfanyl)-acetic acid benzyl ester | - |
Entamoeba histolytica | |
2-(1-benzyl-1H-benzoimidazol-2-ylmethylsulfanyl)-3H-quinazolin-4-one | - |
Entamoeba histolytica | |
2-(1H-Benzoimidazol-2-ylsulfanyl)-N-(5-phenyl-[1,3,4]thiadiazol-2-yl)-acetamide | - |
Entamoeba histolytica | |
2-(1H-benzoimidazol-2-ylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)-phenyl]-acetamide | - |
Entamoeba histolytica | |
2-(9-allyl-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-butyramide | - |
Entamoeba histolytica | |
2-(9-benzyl-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-N-furan-2-ylmethyl-acetamide | - |
Entamoeba histolytica | |
2-benzylsulfanyl-N-[5-(3,4-dichloro-benzyl)-[1,3,4]thiadiazol-2-yl]-acetamide | - |
Entamoeba histolytica | |
2-[2-(1-benzyl-1H-benzoimidazol-2-ylsulfanylmethyl)-benzoimidazol-1-yl]-acetamide | - |
Entamoeba histolytica | |
3-(2,6-dichloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid 4-(6-amino-5-cyano-3-methyl-1,4-dihydro-pyrano[2,3-c]pyrazol-4-yl)-phenyl ester | - |
Entamoeba histolytica | |
4-chloro-N-[2-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-acenaphthen-1-yl]-benzenesulfonamide | - |
Entamoeba histolytica | |
4-[4-hydroxy-5-oxo-2-(3-phenoxy-phenyl)-1-pyridin-3-ylmethyl-2,5-dihydro-1H-pyrrole-3-carbonyl]-N,N-dimethyl-benzenesulfonamide | - |
Entamoeba histolytica | |
5-benzyl-2-(4-chloro-phenyl)-3-(4-fluoro-phenyl)-tetrahydro-pyrrolo[3,4-d]isoxazole-4,6-dione | - |
Entamoeba histolytica | |
5-phenyl-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-acetylamino]-thiophene-3-carboxylic acid ethyl ester | - |
Entamoeba histolytica | |
6-(4-benzyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-N-phenyl-[1,3,5]triazine-2,4-diamine | - |
Entamoeba histolytica | |
6-[5-(2-chloro-phenyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl]-N-phenyl-[1,3,5] triazine-2,4-diamine | - |
Entamoeba histolytica | |
additional information | in silico docking studies to pyruvate phosphate dikinase of Entamoeba histolytica, ID number, structure and IUPAC names of top scored ligands; ligand binding and docking analysis, overview | Entamoeba histolytica | |
N-(3-cyano-4,5-diphenyl-furan-2-yl)-2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetamide | - |
Entamoeba histolytica | |
N-(3-cyano-4,5-diphenyl-furan-2-yl)-4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-butyramide | - |
Entamoeba histolytica | |
N-[5-(3-chloro-benzyl)-thiazol-2-yl]-3-[5-(2-methyl-cyclopropyl)-furan-2-yl]-propionamide | - |
Entamoeba histolytica | |
[3-methyl-7-(3-methyl-benzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylsulfanyl]-acetic acid benzyl ester | - |
Entamoeba histolytica |
Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
---|---|---|---|---|---|---|
ATP + pyruvate + phosphate | Entamoeba histolytica | - |
AMP + phosphoenolpyruvate + diphosphate | - |
r | |
additional information | Entamoeba histolytica | Entamoeba histolytica lacks Krebs cycle and oxidative phosphorylation enzymes, and adopts the exclusive way of ATP synthesis through glycolytic pathway. PPDK is the key enzyme essential for the glycolytic pathway in most common and perilous parasite Entamoeba histolytica | ? | - |
? |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Entamoeba histolytica | - |
- |
- |
Entamoeba histolytica | P37213 | - |
- |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
ATP + pyruvate + phosphate | - |
Entamoeba histolytica | AMP + phosphoenolpyruvate + diphosphate | - |
r | |
ATP + pyruvate + phosphate | active site residues are Lys21, Arg91, Asp323, Glu325 and Gln337 | Entamoeba histolytica | AMP + phosphoenolpyruvate + diphosphate | - |
r | |
additional information | Entamoeba histolytica lacks Krebs cycle and oxidative phosphorylation enzymes, and adopts the exclusive way of ATP synthesis through glycolytic pathway. PPDK is the key enzyme essential for the glycolytic pathway in most common and perilous parasite Entamoeba histolytica | Entamoeba histolytica | ? | - |
? |
Subunits | Comment | Organism |
---|---|---|
More | modeling of the three-dimensional structure of the PPDK protein in a homology-modeling approach | Entamoeba histolytica |
Synonyms | Comment | Organism |
---|---|---|
PPDK | - |
Entamoeba histolytica |
pyruvate phosphate dikinase | - |
Entamoeba histolytica |
Cofactor | Comment | Organism | Structure |
---|---|---|---|
AMP | reverse reaction | Entamoeba histolytica | |
ATP | forward reaction | Entamoeba histolytica |