Any feedback?
Please rate this page
(literature.php)
(0/150)

BRENDA support

Literature summary for 3.4.22.15 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 3.4.22.15

Inhibitors

Inhibitors Comment Organism Structure
(2E)-N'-(2-[(naphthalen-1-ylmethyl)sulfanyl]acetyl)-3-phenylprop-2-enehydrazide
-
 Fasciola hepatica
1-N-[3,5-bis (trifluoromethyl) phenyl]-2-N-(1-ethynylcyclohexyl) benzene-1,2-dicarboxamide
-
 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 structure-based design of enzyme inhibitors through a computational study that combined virtual screening, molecular dynamics simulations, and binding free energy calculations. Docking protocol validation is carried out through the non-covalent re-docking of nitrile ((2S,4R)-1-[1-(4-chlorophenyl) cyclopropyl] carbonyl-4-(2-chlorophenyl) sulfonyl-N-[1-(iminomethyl)cyclopropyl] pyrrolidine-2-carboxamide) inhibitor into the active site of this protease, three-dimensional structure determination using the crystal structure of proFhCL1 C25G (PDB ID 2O6X) as a template Fasciola hepatica

Organism

Organism UniProt Comment Textmining
Fasciola hepatica B3TM67
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
acetyl-AGPRNAA-N-methyl amide + H2O docking study Fasciola hepatica acetyl-AGPR + NAA-N-methyl amide
-
 ?
additional information analysis of substrate specificity of FhCL3, strong preference of the cathepsin for Pro and Gly residues at P2 and P3 sites, respectively, of substrates. Residues residues, Q19, G23, G25, W26, G67, W69, Y143, T161, H162 and W184, of FhCL3 largely contribute to the substrate binding. W69, Y143 and T161 have the largest per-residue free energy contributions to the complex formation, interaction analysis, overview Fasciola hepatica ?
-
 ?

Synonyms

Synonyms Comment Organism
cathepsin L3
-
 Fasciola hepatica
CL3
-
 Fasciola hepatica
FhCL3
-
 Fasciola hepatica

General Information

General Information Comment Organism
physiological function the mature enzyme is mainly involved in penetration and immune response evasion of the host Fasciola hepatica