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Literature summary for 1.13.11.34 extracted from

  • Dinh, C.P.; Ville, A.; Neukirch, K.; Viault, G.; Temml, V.; Koeberle, A.; Werz, O.; Schuster, D.; Stuppner, H.; Richomme, P.; Helesbeux, J.J.; Seraphin, D.
    Structure-based design, semi-synthesis and anti-inflammatory activity of tocotrienolic amides as 5-lipoxygenase inhibitors (2020), Eur. J. Med. Chem., 202, 112518 .
    View publication on PubMed
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Cloned(Commentary)

Cloned (Comment) Organism
expression in Escherichia coli Homo sapiens

Crystallization (Commentary)

Crystallization (Comment) Organism
molecular docking of inhibitor delta-garcinoic acid. Trp102 within the allosteric binding site is important for binding. There is an intermolecular hydrogen bond between the ligand's phenolic oxygen and the NH of the indole of Trp102 and one links the amide function of Val110's backbone and the ligand's carbonyl group. The phytyl-like side chain and both methyl substituents of the chromanol form hydrophobic interactions with Val110, His130, Lys133, Tyr383, and Arg401 Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
(2E,6E,10E)-13-((R)-6-hydroxy-2,5,7,8-tetramethylchroman-2-yl)-N-(4-methoxybenzyl)-2,6,10-trimethyltrideca-2,6,10-trienamide significant inhibitory activity in both cell-free and cell-based assays, inhibits leukotriene biosynthesis by human primary polymorphonuclear leukocytes, IC50 value 250 nM Homo sapiens
(2E,6E,10E)-13-((R)-6-hydroxy-2,8-dimethylchroman-2-yl)-N-(4-methoxybenzyl)-2,6,10-trimethyltrideca-2,6,10-trienamide significant inhibitory activity in both cell-free and cell-based assays, inhibits leukotriene biosynthesis by human primary polymorphonuclear leukocytes, IC50 value 184 nM Homo sapiens
(2E,6E,10E)-13-(6-hydroxy-2,8-dimethylchroman-2-yl)-2,6,10-trimethyl-N-(pyridin-3-ylmethyl)trideca-2,6,10-trienamide inhibits leukotriene biosynthesis by human primary polymorphonuclear leukocytes, IC50 value 415 nM Homo sapiens
(2E,6E,10E)-N-benzyl-13-((R)-6-hydroxy-2,5,7,8-tetramethylchroman-2-yl)-2,6,10-trimethyltrideca-2,6,10-trienamide significant inhibitory activity in both cell-free and cell-based assays, inhibits leukotriene biosynthesis by human primary polymorphonuclear leukocytes, IC50 value 173 nM Homo sapiens
(2E,6E,10E)-N-benzyl-13-((R)-6-hydroxy-2,8-dimethylchroman-2-yl)-2,6,10-trimethyltrideca-2,6,10-trienamide inhibits leukotriene biosynthesis by human primary polymorphonuclear leukocytes, IC50 value 303 nM Homo sapiens
delta-garcinoic acid i.e. an omega-oxidized tocotrienol, inhibits leukotriene biosynthesis by human primary polymorphonuclear leukocytes, IC50 value 345 nM Homo sapiens

Organism

Organism UniProt Comment Textmining
Homo sapiens P09917
-
-

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.00005
-
 pH 7.4, 37°C Homo sapiens (2E,6E,10E)-N-benzyl-13-((R)-6-hydroxy-2,8-dimethylchroman-2-yl)-2,6,10-trimethyltrideca-2,6,10-trienamide
0.000057
-
 pH 7.4, 37°C Homo sapiens delta-garcinoic acid
0.000077
-
 pH 7.4, 37°C Homo sapiens (2E,6E,10E)-13-(6-hydroxy-2,8-dimethylchroman-2-yl)-2,6,10-trimethyl-N-(pyridin-3-ylmethyl)trideca-2,6,10-trienamide
0.000094
-
 pH 7.4, 37°C Homo sapiens (2E,6E,10E)-13-((R)-6-hydroxy-2,8-dimethylchroman-2-yl)-N-(4-methoxybenzyl)-2,6,10-trimethyltrideca-2,6,10-trienamide
0.000572
-
 pH 7.4, 37°C Homo sapiens (2E,6E,10E)-13-((R)-6-hydroxy-2,5,7,8-tetramethylchroman-2-yl)-N-(4-methoxybenzyl)-2,6,10-trimethyltrideca-2,6,10-trienamide
0.000595
-
 pH 7.4, 37°C Homo sapiens (2E,6E,10E)-N-benzyl-13-((R)-6-hydroxy-2,5,7,8-tetramethylchroman-2-yl)-2,6,10-trimethyltrideca-2,6,10-trienamide