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Literature summary for 2.5.1.47 extracted from

  • Yadava, U.; Shukla, B.K.; Roychoudhury, M.; Kumar, D.
    Pyrazolo[3,4-d]pyrimidines as novel inhibitors of O-acetyl-L-serine sulfhydrylase of Entamoeba histolytica: an in silico study (2015), J. Mol. Model., 21, 96.
    View publication on PubMed
Search for more literature for 2.5.1.47

Application

Application Comment Organism
drug development O-acetyl-L-serine sulfhydrylase is a promising target for inhibiting the growth of Entamoeba histolytica Entamoeba histolytica

Crystallization (Commentary)

Crystallization (Comment) Organism
analysis of the three-dimensional crystal structure of O-acetyl-L-serine sulfhydrylase enzyme complexed with cysteine and pyridoxal 5'-phosphate ligands, PDB ID 3BM5, determined by X-ray crystallography Entamoeba histolytica

Inhibitors

Inhibitors Comment Organism Structure
1,1'-(1,3-propanediyl)bis(5-benzyl-6-methylsulfanyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-one)
-
 Entamoeba histolytica
1,1'-(1,3-propanediyl)bis(5-ethyl-6-methylthio-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-one)
-
 Entamoeba histolytica
1,1'-(1,3-propanediyl)bis(5-methyl-6-methylthio-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-one)
-
 Entamoeba histolytica
1,3-bis(4,6-diethylthio-1H-pyrazolo[3,4-d]pyrimidin-1-yl)propane
-
 Entamoeba histolytica
1,3-bis(4-ethoxy-6-methyl-sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)propane
-
 Entamoeba histolytica
1-(2-naphthylsulfonyl)-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
-
 Entamoeba histolytica
1-(4,6-dimethylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)-3-(5-methyl-6-methylsulfanyl-4-oxo-1,5-dihydropyrazolo[3,4-d]pyrimidin-1-yl)propane
-
 Entamoeba histolytica
1-[(2,5-dichlorophenyl)sulfonyl]-3-phenyl-1Hpyrazolo[3,4-d]pyrimidine-4-amine
-
 Entamoeba histolytica
1-[(4-chlorophenyl)sulfonyl]-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine-4-amine
-
 Entamoeba histolytica
1-[(4-nitrophenyl)sulfonyl]-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine-4-amine
-
 Entamoeba histolytica
3-phenyl-1-(methylsulfonyl)-1H-pyrazolo[3,4-d]pyrimidine-4-amine
-
 Entamoeba histolytica
3-phenyl-1-(phenylsulfonyl)-1H-pyrazolo[3,4-d]pyrimidine-4-amine
-
 Entamoeba histolytica
3-phenyl-1-tosyl-1H-pyrazolo[3,4-d] pyrimidin-4-amine
-
 Entamoeba histolytica
3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
-
 Entamoeba histolytica
4,6-bis(methylsulfanyl)-1-phthalimidopropyl-1H-pyrazolo[3,4-d]-pyrimidine
-
 Entamoeba histolytica
6-methylsulfanyl-1-(3-phenylpropyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-one
-
 Entamoeba histolytica
6-methylsulfanyl-1-phthalimidopropyl-4(pyrrolidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine
-
 Entamoeba histolytica
metronidazole
-
 Entamoeba histolytica
additional information enzyme inhibitor development, in silico molecular docking simulations, using the three-dimensional crystal structure of O-acetyl-L-serine sulfhydrylase enzyme complexed with cysteine and pyridoxal 5'-phosphate ligands, PDB ID 3BM5, on nine pyrazolo[3,4-d]pyrimidine molecules without linkers and nine pyrazolo[3,4-d]pyrimidine molecules with a trimethylene linker along with the reference drug metronidazole, binding structures, ligand docking and interaction analysis, detiled overview Entamoeba histolytica
N-{4-[(4-amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)sulfonyl]phenyl}acetamide
-
 Entamoeba histolytica
ornidazole
-
 Entamoeba histolytica
tinidazole
-
 Entamoeba histolytica

Organism

Organism UniProt Comment Textmining
Entamoeba histolytica
-
-
-

Synonyms

Synonyms Comment Organism
O-acetyl-L-serine sulfhydrylase
-
 Entamoeba histolytica
OASS
-
 Entamoeba histolytica

Cofactor

Cofactor Comment Organism Structure
pyridoxal 5'-phosphate cofactor pyridoxal 5'-phosphate is linked covalently to Lys58, which is conserved in all OASS structures and is positioned in between these two domains, and highly conserved residues, such as Gly236, Ser280 and Pro307, interact with the aromatic ring of pyridoxal 5'-phosphate Entamoeba histolytica