New inhibitors of 5-lipoxygenase catalytic activity based on 2-(3-methylphenyl)propanoic acid and 4-substituted morpholine derivatives

New potential inhibitors of 5-lipoxygenase (5-LOX) based on the structure of 2-(3-benzoylphenyl)propanoic acid (an active component of the nonsteroidal antiinflammatory drug Ketoprofen) were designed using the SARD-21 program. The docking of these compounds in the active site of 5-LOX suggested that...

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Veröffentlicht in:	Biochemistry (Moscow) 2014-04, Vol.79 (4), p.376-384
Hauptverfasser:	Khayrullina, V. R., Taipov, I. A., Veselovsky, A. V., Shcherbinin, D. S., Gerchikov, A. Ya
Format:	Artikel
Sprache:	eng
Schlagworte:	Acids Anti-inflammatory agents Arachidonate 5-Lipoxygenase - metabolism Binding sites Biocatalysis - drug effects Biochemistry Biomedical and Life Sciences Biomedicine Bioorganic Chemistry Drug therapy Enzyme Activation - drug effects Enzyme inhibitors Enzymes Genetic aspects Humans Inflammation Inhibitor drugs Inhibitors Life Sciences Lipoxygenase Inhibitors - chemistry Lipoxygenase Inhibitors - pharmacology Microbiology Models, Molecular Molecular Structure Morpholines - chemistry Morpholines - pharmacology Nonsteroidal anti-inflammatory drugs Oxidoreductases Physiological aspects Propionates - chemistry Propionates - pharmacology Regular Articles Structure Structure-Activity Relationship
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Zusammenfassung:	New potential inhibitors of 5-lipoxygenase (5-LOX) based on the structure of 2-(3-benzoylphenyl)propanoic acid (an active component of the nonsteroidal antiinflammatory drug Ketoprofen) were designed using the SARD-21 program. The docking of these compounds in the active site of 5-LOX suggested that seven compounds can interact with this enzyme. Two of them can also be dual inhibitors of 5-LOX and two isoforms of cyclooxygenase.
ISSN:	0006-2979 1608-3040
DOI:	10.1134/S0006297914040063