Biopolym. Cell. 2021; 37(6):469-474.
http://dx.doi.org/10.7124/bc.000A6B
Bioinformatics
Development of receptor-based protein kinase Cβ (PKCβ) pharmacophore model for the search of inhibitors with potential activity against acute respiratory distress syndrome (ARDS)
1, 2Starosyla S. A., 1, 3Volynets G. P., 1Protopopov M. V., 2, 4Koleiev I. M., 1Bdzhola V. G., 1Yarmoluk S. M.
  1. Institute of Molecular Biology and Genetics, NAS of Ukraine
    150, Akademika Zabolotnoho Str., Kyiv, Ukraine, 03143
  2. RECEPTOR.AI
    Boston, USA
  3. LLC “Scientific and service firm “Otava”
    150, Akademika Zabolotnoho Str., Kyiv, Ukraine, 03143
  4. Educational and Scientific Center "Institute of Biology and Medicine",
    Taras Shevchenko National University of Kyiv
    64/13, Volodymyrska Str., Kyiv, Ukraine, 01601

Abstract

Aim. Development of receptor-based pharmacophore model for protein kinase Cβ(PKCβ). Methods. Pharmacophore modeling was performed with Discovery Studio Visualizer 4.0 and PharmDeveloper software. Results. The resulted pharamacophore model consisted of five pharamacophore features, two aromatic features without vectors, two acceptors of hydrogen bonds, one donor of acceptor bond, was generated and validated. Conclusion. This pharmacophore model will be used for virtual screening of compound collection in order to identify potential inhibitors of PKCβ.
Keywords: protein kinase Cβ, PKCβ, pharmacophore model, pharmacophore features
Full text: (PDF, in English)

References

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