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Literature summary for 2.4.2.1 extracted from
- 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 .
Application
| Application | Comment | Organism |
|---|---|---|
| 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)
| Crystallization (Comment) | Organism |
|---|---|
| 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
| Inhibitors | Comment | Organism | Structure |
|---|---|---|---|
| 5'-methylthio-immucillin-H | a potent and selective inhibitor of PfPNP. Imucillins are known inhibitors of PfPNP | Plasmodium falciparum |  |
| 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 | |
| ZINC01463353 | - |
Plasmodium falciparum | |
| ZINC01636511 | - |
Plasmodium falciparum | |
| ZINC04892271 | - |
Plasmodium falciparum | |
| ZINC04983259 | - |
Plasmodium falciparum | |
| ZINC05182374 | - |
Plasmodium falciparum | |
| ZINC05499633 | - |
Plasmodium falciparum | |
| ZINC06374114 | - |
Plasmodium falciparum | |
| ZINC09159904 | - |
Plasmodium falciparum | |
| ZINC09933332 | - |
Plasmodium falciparum | |
| ZINC12088418 | - |
Plasmodium falciparum | |
| ZINC12372341 | - |
Plasmodium falciparum | |
| ZINC12676465 | - |
Plasmodium falciparum | |
| ZINC13759662 | - |
Plasmodium falciparum | |
| ZINC14180608 | - |
Plasmodium falciparum | |
| ZINC19665356 | - |
Plasmodium falciparum | |
| ZINC19747241 | - |
Plasmodium falciparum | |
| ZINC19747244 | - |
Plasmodium falciparum | |
| ZINC23991446 | - |
Plasmodium falciparum | |
| ZINC24115628 | - |
Plasmodium falciparum | |
| ZINC40512378 | - |
Plasmodium falciparum | |
| ZINC41653022 | - |
Plasmodium falciparum | |
| ZINC57143168 | - |
Plasmodium falciparum | |
| ZINC64028643 | - |
Plasmodium falciparum | |
| ZINC65882908 | - |
Plasmodium falciparum | |
| ZINC66695038 | - |
Plasmodium falciparum | |
| ZINC66707543 | - |
Plasmodium falciparum | |
| ZINC71829732 | - |
Plasmodium falciparum | |
| ZINC72344569 | - |
Plasmodium falciparum | |
| ZINC72344570 | - |
Plasmodium falciparum | |
| ZINC73134359 | - |
Plasmodium falciparum | |
| ZINC74125844 | - |
Plasmodium falciparum | |
| ZINC77226270 | - |
Plasmodium falciparum | |
| ZINC77232400 | - |
Plasmodium falciparum | |
| ZINC78322339 | - |
Plasmodium falciparum | |
| ZINC79152687 | - |
Plasmodium falciparum | |
| ZINC80662886 | - |
Plasmodium falciparum | |
| ZINC81706948 | - |
Plasmodium falciparum | |
| ZINC89468212 | - |
Plasmodium falciparum | |
| ZINC89468213 | - |
Plasmodium falciparum | |
| ZINC89470928 | - |
Plasmodium falciparum | |
| ZINC89471465 | - |
Plasmodium falciparum | |
| ZINC89472321 | - |
Plasmodium falciparum | |
| ZINC89472322 | - |
Plasmodium falciparum | |
| ZINC89472725 | - |
Plasmodium falciparum | |
| ZINC89509012 | - |
Plasmodium falciparum | |
| ZINC89802421 | - |
Plasmodium falciparum | |
| ZINC89803979 | - |
Plasmodium falciparum | |
| ZINC89866699 | - |
Plasmodium falciparum | |
| ZINC89940053 | - |
Plasmodium falciparum | |
| ZINC89974202 | - |
Plasmodium falciparum | |
| ZINC89975036 | - |
Plasmodium falciparum | |
| ZINC90007812 | - |
Plasmodium falciparum | |
| ZINC91430675 | - |
Plasmodium falciparum | |
| ZINC91430730 | - |
Plasmodium falciparum | |
| ZINC91431783 | - |
Plasmodium falciparum | |
| ZINC91805730 | - |
Plasmodium falciparum | |
| ZINC92524016 | - |
Plasmodium falciparum | |
| ZINC92609749 | - |
Plasmodium falciparum | |
| ZINC92611143 | - |
Plasmodium falciparum | |
Natural Substrates/ Products (Substrates)
| Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
|---|---|---|---|---|---|---|
| 5'-methylthioinosine + phosphate | Plasmodium falciparum | - |
hypoxanthine + 5-methylthio-alpha-D-ribose 1-phosphate | - |
r | |
Organism
| Organism | UniProt | Comment | Textmining |
|---|---|---|---|
| Plasmodium falciparum | Q8I3X4 | - |
- |
Substrates and Products (Substrate)
| Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
|---|---|---|---|---|---|---|
| 5'-methylthioinosine + phosphate | - |
Plasmodium falciparum | hypoxanthine + 5-methylthio-alpha-D-ribose 1-phosphate | - |
r | |
Synonyms
| Synonyms | Comment | Organism |
|---|---|---|
| PfPNP | - |
Plasmodium falciparum |
| PNP | - |
Plasmodium falciparum |
| purine nucleoside phosphorylase | - |
Plasmodium falciparum |
General Information
| General Information | Comment | Organism |
|---|---|---|
| metabolism | the enzyme is involved in the purine metabolism in Plasmodium falciparum | Plasmodium falciparum |
| additional information | superposition of the bioactive conformations of 5'-methylthioimmucillin-H (PDB ID 1Q1G) and DADMe-immucillin-G (PDB ID 3PHC) | Plasmodium falciparum |
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