New cytochrome P-450 ligands based on urea derivatives

Andrey Ivanovich Khlebnikov, R. R. Akhmedzhanov, O. I. Naboka, A. A. Bakibaev, M. I. Tartynova, T. P. Novozheeva, A. S. Saratikov

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)


Cytochrome P-450 (CYPIIB1 isoform) ligands were constructed de novo on the basis of QSAR models derived using the frontal polygon (FP) method. The following compounds were designed and synthesized: 2-phenyl-6-benzyl-2,4,6,8- tetraazabicyclo[3.3.0]octane-3,7-dione, N-acetyl-N′-(1-phenylethyl)urea, and (1-phenyl-3-methylbutyl)urea. Their interaction with phenobarbital-induced microsomes isolated from rat liver was studied spectrophotometrically. The dissociation constants K s of the enzyme - substrate complexes measured are in good agreement with the values predicted using the QSAR models. The results show that the FP method has a high potential for designing biologically active compounds.

Original languageEnglish
Pages (from-to)18-21
Number of pages4
JournalPharmaceutical Chemistry Journal
Issue number1
Publication statusPublished - Jan 2005

ASJC Scopus subject areas

  • Molecular Medicine
  • Pharmacology, Toxicology and Pharmaceutics(all)

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