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Literature summary for 3.4.22.B62 extracted from

  • Hernandez Alvarez, L.; Naranjo Feliciano, D.; Hernandez Gonzalez, J.E.; de Oliveira Soares, R.O.; Barreto Gomes, D.E.; Pascutti, P.G.
    Insights into the Interactions of Fasciola hepatica cathepsin L3 with a substrate and potential novel inhibitors through in silico approaches (2015), PLoS Negl. Trop. Dis., 9, e0003759 .
    View publication on PubMedView publication on EuropePMC
Search for more literature for 3.4.22.B62

Application

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

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

Localization Comment Organism GeneOntology No. Textmining
extracellular the enzyme is secreted Fasciola hepatica
-
-

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
Collagen + H2O Fasciola hepatica
-
 ?
-
 ?

Organism

Organism UniProt Comment Textmining
Fasciola hepatica Q9GRW6
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
Collagen + H2O
-
 Fasciola hepatica ?
-
 ?

Synonyms

Synonyms Comment Organism
FhCL3
-
 Fasciola hepatica

General Information

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