Application | Comment | Organism |
---|---|---|
drug development | cathepsin L3 is a protease that plays important roles during the life cycle of fluke. Due to its particular collagenolytic activity it is considered an attractive drug target in the infective phase of Fasciola hepatica | Fasciola hepatica |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
(2E)-N'-(2-[(naphthalen-1-ylmethyl)sulfanyl]acetyl)-3-phenylprop-2-enehydrazide | - |
Fasciola hepatica | |
2-([4-benzyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one | - |
Fasciola hepatica | |
4-(2,5-dimethyl-1H-pyrrol-1-yl)-N'-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)benzohydrazide | - |
Fasciola hepatica | |
4-[4-(benzyloxy)phenyl]-3-([(4-methylphenyl)methyl]sulfanyl)-4,5-dihydro-1H-1,2,4-triazol-5-one | - |
Fasciola hepatica | |
additional information | virtual inhibitor screening is carried out by docking inhibitors obtained from the MYBRIDGE-HitFinder database to FhCL3 and human cathepsin L substrate-binding sites. On the basis of dock-scores, five compounds are predicted as selective inhibitors of FhCL3, molecular dynamic simulations. The active site-binding compounds prevent substrate processing by competitive inhibition. Structure-based drug design strategy, overview. Calculation of inhibition kinetics and thermodynamics | Fasciola hepatica | |
N1-[3,5-bis(trifluoromethyl)phenyl]-N2-(1-ethynylcyclohexyl)benzene-1,2-dicarboxamide | - |
Fasciola hepatica |
Localization | Comment | Organism | GeneOntology No. | Textmining |
---|---|---|---|---|
extracellular | the enzyme is secreted | Fasciola hepatica | - |
- |
Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
---|---|---|---|---|---|---|
Collagen + H2O | Fasciola hepatica | - |
? | - |
? |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Fasciola hepatica | Q9GRW6 | - |
- |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
Collagen + H2O | - |
Fasciola hepatica | ? | - |
? |
Synonyms | Comment | Organism |
---|---|---|
FhCL3 | - |
Fasciola hepatica |
General Information | Comment | Organism |
---|---|---|
additional information | homology modeling of FhCL3 using the three dimensional structure of proFhCL1 C25G, PDB ID 2O6X, as a template | Fasciola hepatica |