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New Inhibitors of 5-Lipoxygenase Catalytic Activity Based on 2-(3-Methylphenyl)propanoic Acid and 4-Substituted Morpholine Derivatives

V. R. Khayrullina1*, I. A. Taipov1, A. V. Veselovsky2, D. S. Shcherbinin2, and A. Ya. Gerchikov1*

1Bashkir State University, Faculty of Chemistry, ul. Zaki Validi 32, 450076 Ufa, Russia; fax: +7 (347) 229-9707; E-mail: gerchikov@inbox.ru; Veronika1979@yandex.ru

2Orekhovich Institute of Biomedical Chemistry, Russian Academy of Medical Sciences, ul. Pogodinskaya 10/8, 119121 Moscow, Russia; fax: +7 (499) 245-0857; E-mail: veselov@ibmh.msk.su

* To whom correspondence should be addressed.

Received October 16, 2013; Revision received December 15, 2013
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.
KEY WORDS: molecular design, molecular docking, 5-lipoxygenase, cyclooxygenase isoforms

DOI: 10.1134/S0006297914040063