Application | Comment | Organism |
---|---|---|
drug development | correct binding mode of 2-O-(4-O-galloylgalloyl)-1,3,4-tri-O-galloyl-beta-D-glucose can be used as a novel scaffold for anti-hepatitis C virus for the further reconstruction and design of new protease inhibitors | Hepacivirus C |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
1,3,4-tri-O-galloyl-beta-D-glucose | from Saxifraga melanocentra | Hepacivirus C | |
1,3,6-tri-O-galloyl-beta-D-glucose | from Terminalia chebula | Hepacivirus C | |
1-O-(3-O-galloylgalloyl)-2,3,4-tri-O-galloyl-beta-D-glucose | from Saxifraga melanocentra | Hepacivirus C | |
2-O-(4-O-galloylgalloyl)-1,3,4-tri-O-galloyl-beta-D-glucose | from Rhodiola kirilowii | Hepacivirus C | |
3,6-di-O-galloyl-beta-D-glucose | from Saxifraga melanocentra | Hepacivirus C | |
additional information | two galloyl residues at 3 and 4 positions of the glucopyranose ring of the plant inhibitors interact with SER139, GLY137, ALA157, and ASP81 by hydrogen bond interaction and with ALA156 and HIE57 by hydrophobic interaction and are essential for the activities of the inhibitors | Hepacivirus C |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Hepacivirus C | - |
- |
- |
Synonyms | Comment | Organism |
---|---|---|
NS3 serine protease | - |
Hepacivirus C |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.00062 | - |
- |
Hepacivirus C | 2-O-(4-O-galloylgalloyl)-1,3,4-tri-O-galloyl-beta-D-glucose | |
0.00064 | - |
- |
Hepacivirus C | 1,3,4-tri-O-galloyl-beta-D-glucose | |
0.00064 | - |
- |
Hepacivirus C | 1-O-(3-O-galloylgalloyl)-2,3,4-tri-O-galloyl-beta-D-glucose | |
0.00642 | - |
- |
Hepacivirus C | 1,3,6-tri-O-galloyl-beta-D-glucose | |
0.46 | - |
- |
Hepacivirus C | 3,6-di-O-galloyl-beta-D-glucose |