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Literature summary for 2.4.2.3 extracted from

  • Cui, H.; Ruda, G.F.; Carrero-Lerida, J.; Ruiz-Perez, L.M.; Gilbert, I.H.; Gonzalez-Pacanowska, D.
    Exploring new inhibitors of Plasmodium falciparum purine nucleoside phosphorylase (2010), Eur. J. Med. Chem., 45, 5140-5149.
    View publication on PubMed

Crystallization (Commentary)

Crystallization (Comment) Organism
modeling of the inhibitors 1-((2-pyrrolidine-1-yl)ethyl)uracil and 3-((2-pyrrolidine-1-yl)ethyl)uracil into the active site of the protein, PDB entry 1NW4, by superposition of the uracil ring and the purine ring of Immucillin-H. Both compounds can fit adequately in the active site. In both cases the uracil base is predicted to be oriented in the nucleoside binding pocket by a pi-stacking similar to the purine base of Immucillin-H. The N1 of the uracil base in 1-((2-pyrrolidine-1-yl)ethyl)uracil and the N3 of the uracil base in 3-((2-pyrrolidine-1-yl)ethyl)uracil roughly superimpose with the C4 of Immucillin-H Plasmodium falciparum

Inhibitors

Inhibitors Comment Organism Structure
1-((2-pyrrolidine-1-yl)ethyl)uracil inhibits both enzymic activity and growth of Plasmodium falciparum Plasmodium falciparum
3-((2-pyrrolidine-1-yl)ethyl)uracil inhibits both enzymic activity and growth of Plasmodium falciparum Plasmodium falciparum

KM Value [mM]

KM Value [mM] KM Value Maximum [mM] Substrate Comment Organism Structure
0.005
-
Inosine pH 7.5, 25°C Plasmodium falciparum
0.085
-
uridine pH 7.5, 25°C Plasmodium falciparum

Organism

Organism UniProt Comment Textmining
Plasmodium falciparum Q8I3X4
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
inosine + phosphate
-
Plasmodium falciparum hypoxanthine + alpha-D-ribose 1-phosphate
-
?
uridine + phosphate
-
Plasmodium falciparum uracil + alpha-D-ribose 1-phosphate
-
?

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.006
-
3-((2-pyrrolidine-1-yl)ethyl)uracil pH 7.5, 25°C Plasmodium falciparum
0.027
-
1-((2-pyrrolidine-1-yl)ethyl)uracil pH 7.5, 25°C Plasmodium falciparum

kcat/KM [mM/s]

kcat/KM Value [1/mMs-1] kcat/KM Value Maximum [1/mMs-1] Substrate Comment Organism Structure
0.306
-
uridine pH 7.5, 25°C Plasmodium falciparum
74
-
Inosine pH 7.5, 25°C Plasmodium falciparum