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Literature summary for 3.1.3.82 extracted from
- High-throughput virtual screening and molecular dynamics simulation reveals NPC170742 a novel chalconoid compound as a potential inhibitor of D-glycero-D-manno-heptose-1,7-bisphosphate 7-phosphatase in Helicobacter pylori (2023), J. Biomol. Struct. Dyn., 2023, 1-11.
Inhibitors
| Inhibitors | Comment | Organism | Structure |
|---|---|---|---|
| additional information | NPC170742 (alpha,beta,3,4,5,2',4',6'-octahydroxy dihydrochalcone) shows higher affinity than the substrate, and both the substrate D-glycero-b-D-manno-heptose 1,7-bisphosphate and the compound NPC170742 are subjected to molecular dynamics simulation. NPC170742 could be a potential lead compound against the enzyme D-glycero-D-manno-heptose-1,7-bisphosphate 7-phosphatase | Helicobacter pylori |
Organism
| Organism | UniProt | Comment | Textmining |
|---|---|---|---|
| Helicobacter pylori | O25531 | - |
- |
| Helicobacter pylori ATCC 700392 | O25531 | - |
- |
Synonyms
| Synonyms | Comment | Organism |
|---|---|---|
| D-glycero-D-manno-heptose-1,7-bisphosphate 7-phosphatase | - |
Helicobacter pylori |
| GmhB | - |
Helicobacter pylori |
General Information
| General Information | Comment | Organism |
|---|---|---|
| drug target | the potential inhibitor NPC170742 could be used as a lead molecule in the fight against Helicobacter pylori infection | Helicobacter pylori |
| physiological function | the enzyme is essential for the production of lipopolysaccharide | Helicobacter pylori |
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