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Literature summary 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

Application

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

Crystallization (Commentary)

EC Number Crystallization (Comment) Organism
2.5.1.47 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

EC Number Inhibitors Comment Organism Structure
2.5.1.47 1,1'-(1,3-propanediyl)bis(5-benzyl-6-methylsulfanyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-one)
-
 Entamoeba histolytica
2.5.1.47 1,1'-(1,3-propanediyl)bis(5-ethyl-6-methylthio-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-one)
-
 Entamoeba histolytica
2.5.1.47 1,1'-(1,3-propanediyl)bis(5-methyl-6-methylthio-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-one)
-
 Entamoeba histolytica
2.5.1.47 1,3-bis(4,6-diethylthio-1H-pyrazolo[3,4-d]pyrimidin-1-yl)propane
-
 Entamoeba histolytica
2.5.1.47 1,3-bis(4-ethoxy-6-methyl-sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)propane
-
 Entamoeba histolytica
2.5.1.47 1-(2-naphthylsulfonyl)-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
-
 Entamoeba histolytica
2.5.1.47 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
2.5.1.47 1-[(2,5-dichlorophenyl)sulfonyl]-3-phenyl-1Hpyrazolo[3,4-d]pyrimidine-4-amine
-
 Entamoeba histolytica
2.5.1.47 1-[(4-chlorophenyl)sulfonyl]-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine-4-amine
-
 Entamoeba histolytica
2.5.1.47 1-[(4-nitrophenyl)sulfonyl]-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine-4-amine
-
 Entamoeba histolytica
2.5.1.47 3-phenyl-1-(methylsulfonyl)-1H-pyrazolo[3,4-d]pyrimidine-4-amine
-
 Entamoeba histolytica
2.5.1.47 3-phenyl-1-(phenylsulfonyl)-1H-pyrazolo[3,4-d]pyrimidine-4-amine
-
 Entamoeba histolytica
2.5.1.47 3-phenyl-1-tosyl-1H-pyrazolo[3,4-d] pyrimidin-4-amine
-
 Entamoeba histolytica
2.5.1.47 3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
-
 Entamoeba histolytica
2.5.1.47 4,6-bis(methylsulfanyl)-1-phthalimidopropyl-1H-pyrazolo[3,4-d]-pyrimidine
-
 Entamoeba histolytica
2.5.1.47 6-methylsulfanyl-1-(3-phenylpropyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-one
-
 Entamoeba histolytica
2.5.1.47 6-methylsulfanyl-1-phthalimidopropyl-4(pyrrolidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine
-
 Entamoeba histolytica
2.5.1.47 metronidazole
-
 Entamoeba histolytica
2.5.1.47 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
2.5.1.47 N-{4-[(4-amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)sulfonyl]phenyl}acetamide
-
 Entamoeba histolytica
2.5.1.47 ornidazole
-
 Entamoeba histolytica
2.5.1.47 tinidazole
-
 Entamoeba histolytica

Organism

EC Number Organism UniProt Comment Textmining
2.5.1.47 Entamoeba histolytica
-
-
-

Synonyms

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

Cofactor

EC Number Cofactor Comment Organism Structure
2.5.1.47 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