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Literature summary extracted from

  • Kagami, L.P.; das Neves, G.M.; Rodrigues, R.P.; da Silva, V.B.; Eifler-Lima, V.L.; Kawano, D.F.
    Identification of a novel putative inhibitor of the Plasmodium falciparum purine nucleoside phosphorylase exploring the purine salvage pathway to design new antimalarial drugs (2017), Mol. Divers., 21, 677-695 .
    View publication on PubMed

Application

EC Number Application Comment Organism
2.4.2.1 drug development Plasmodium falciparum purine nucleoside phosphorylase (PfPNP) can be targeted for antimalarial drug design since its inhibition kills malaria parasites both in vitro and in vivo Plasmodium falciparum

Crystallization (Commentary)

EC Number Crystallization (Comment) Organism
2.4.2.1 analysis of the structures of MTI (PDB ID 1Q1G) and DADMe-I (PDB ID 3PHC) co-crystallized with the protein structure of PfPNP Plasmodium falciparum

Inhibitors

EC Number Inhibitors Comment Organism Structure
2.4.2.1 5'-methylthio-immucillin-H a potent and selective inhibitor of PfPNP. Imucillins are known inhibitors of PfPNP Plasmodium falciparum
2.4.2.1 additional information pharmacophore-based virtual screening coupled to a consensual molecular docking approach is used to identify 59 potential PfPNP inhibitors that are predicted to be orally absorbed in a Caco-2 cell model. Superposition of the bioactive conformations of 5'-methylthioimmucillin-H (PDB ID 1Q1G) and DADMe-immucillin-G (PDB ID 3PHC). Inhibitor docking analysis, kinetics, and binding structures, overview. Molecular dynamics simulations Plasmodium falciparum
2.4.2.1 ZINC01463353
-
 Plasmodium falciparum
2.4.2.1 ZINC01636511
-
 Plasmodium falciparum
2.4.2.1 ZINC04892271
-
 Plasmodium falciparum
2.4.2.1 ZINC04983259
-
 Plasmodium falciparum
2.4.2.1 ZINC05182374
-
 Plasmodium falciparum
2.4.2.1 ZINC05499633
-
 Plasmodium falciparum
2.4.2.1 ZINC06374114
-
 Plasmodium falciparum
2.4.2.1 ZINC09159904
-
 Plasmodium falciparum
2.4.2.1 ZINC09933332
-
 Plasmodium falciparum
2.4.2.1 ZINC12088418
-
 Plasmodium falciparum
2.4.2.1 ZINC12372341
-
 Plasmodium falciparum
2.4.2.1 ZINC12676465
-
 Plasmodium falciparum
2.4.2.1 ZINC13759662
-
 Plasmodium falciparum
2.4.2.1 ZINC14180608
-
 Plasmodium falciparum
2.4.2.1 ZINC19665356
-
 Plasmodium falciparum
2.4.2.1 ZINC19747241
-
 Plasmodium falciparum
2.4.2.1 ZINC19747244
-
 Plasmodium falciparum
2.4.2.1 ZINC23991446
-
 Plasmodium falciparum
2.4.2.1 ZINC24115628
-
 Plasmodium falciparum
2.4.2.1 ZINC40512378
-
 Plasmodium falciparum
2.4.2.1 ZINC41653022
-
 Plasmodium falciparum
2.4.2.1 ZINC57143168
-
 Plasmodium falciparum
2.4.2.1 ZINC64028643
-
 Plasmodium falciparum
2.4.2.1 ZINC65882908
-
 Plasmodium falciparum
2.4.2.1 ZINC66695038
-
 Plasmodium falciparum
2.4.2.1 ZINC66707543
-
 Plasmodium falciparum
2.4.2.1 ZINC71829732
-
 Plasmodium falciparum
2.4.2.1 ZINC72344569
-
 Plasmodium falciparum
2.4.2.1 ZINC72344570
-
 Plasmodium falciparum
2.4.2.1 ZINC73134359
-
 Plasmodium falciparum
2.4.2.1 ZINC74125844
-
 Plasmodium falciparum
2.4.2.1 ZINC77226270
-
 Plasmodium falciparum
2.4.2.1 ZINC77232400
-
 Plasmodium falciparum
2.4.2.1 ZINC78322339
-
 Plasmodium falciparum
2.4.2.1 ZINC79152687
-
 Plasmodium falciparum
2.4.2.1 ZINC80662886
-
 Plasmodium falciparum
2.4.2.1 ZINC81706948
-
 Plasmodium falciparum
2.4.2.1 ZINC89468212
-
 Plasmodium falciparum
2.4.2.1 ZINC89468213
-
 Plasmodium falciparum
2.4.2.1 ZINC89470928
-
 Plasmodium falciparum
2.4.2.1 ZINC89471465
-
 Plasmodium falciparum
2.4.2.1 ZINC89472321
-
 Plasmodium falciparum
2.4.2.1 ZINC89472322
-
 Plasmodium falciparum
2.4.2.1 ZINC89472725
-
 Plasmodium falciparum
2.4.2.1 ZINC89509012
-
 Plasmodium falciparum
2.4.2.1 ZINC89802421
-
 Plasmodium falciparum
2.4.2.1 ZINC89803979
-
 Plasmodium falciparum
2.4.2.1 ZINC89866699
-
 Plasmodium falciparum
2.4.2.1 ZINC89940053
-
 Plasmodium falciparum
2.4.2.1 ZINC89974202
-
 Plasmodium falciparum
2.4.2.1 ZINC89975036
-
 Plasmodium falciparum
2.4.2.1 ZINC90007812
-
 Plasmodium falciparum
2.4.2.1 ZINC91430675
-
 Plasmodium falciparum
2.4.2.1 ZINC91430730
-
 Plasmodium falciparum
2.4.2.1 ZINC91431783
-
 Plasmodium falciparum
2.4.2.1 ZINC91805730
-
 Plasmodium falciparum
2.4.2.1 ZINC92524016
-
 Plasmodium falciparum
2.4.2.1 ZINC92609749
-
 Plasmodium falciparum
2.4.2.1 ZINC92611143
-
 Plasmodium falciparum

Natural Substrates/ Products (Substrates)

EC Number Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
2.4.2.1 5'-methylthioinosine + phosphate Plasmodium falciparum
-
 hypoxanthine + 5-methylthio-alpha-D-ribose 1-phosphate
-
 r

Organism

EC Number Organism UniProt Comment Textmining
2.4.2.1 Plasmodium falciparum Q8I3X4
-
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
2.4.2.1 5'-methylthioinosine + phosphate
-
 Plasmodium falciparum hypoxanthine + 5-methylthio-alpha-D-ribose 1-phosphate
-
 r

Synonyms

EC Number Synonyms Comment Organism
2.4.2.1 PfPNP
-
 Plasmodium falciparum
2.4.2.1 PNP
-
 Plasmodium falciparum
2.4.2.1 purine nucleoside phosphorylase
-
 Plasmodium falciparum

General Information

EC Number General Information Comment Organism
2.4.2.1 metabolism the enzyme is involved in the purine metabolism in Plasmodium falciparum Plasmodium falciparum
2.4.2.1 additional information superposition of the bioactive conformations of 5'-methylthioimmucillin-H (PDB ID 1Q1G) and DADMe-immucillin-G (PDB ID 3PHC) Plasmodium falciparum