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Chemistry of Heterocyclic Compounds

, Volume 55, Issue 4–5, pp 455–462 | Cite as

The effect of the structure of derivatives of nitrogen-containing heterocycles on their anti-influenza activity

  • Tatyana L. Gridina
  • Alla S. Fedchuk
  • Stephan S. Basok
  • Anatoliy G. Artemenko
  • Liudmila N. Ognichenko
  • Larisa I. Shitikova
  • Anatolii F. Lutsyuk
  • Aleksandr A. Gruzevskii
  • Victor E. Kuz’minEmail author
Article
  • 12 Downloads

An adequate QSAR model based on the simplex representation of the molecular structure was built in order to optimize the search for new anti-influenza agents. Structural interpretation of the model allowed us to identify molecular fragments that determine the activity of compounds against human influenza viruses. Further virtual screening and targeted synthesis allowed us to select a group of potentially effective compounds, three of which, derivatives of piperidine and isoindoline, turned out to be the most promising.

Keywords

heterocyclic compounds antiviral activity human influenza viruses QSAR method virtual screening 

Notes

The work was carried out with partial financial support from the Ukrainian Science and Technology Center as part of the partner project No. P407 (USA, GIPP) and project No. 6385.

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Copyright information

© Springer Science+Business Media, LLC, part of Springer Nature 2019

Authors and Affiliations

  • Tatyana L. Gridina
    • 1
  • Alla S. Fedchuk
    • 2
  • Stephan S. Basok
    • 3
  • Anatoliy G. Artemenko
    • 3
  • Liudmila N. Ognichenko
    • 3
  • Larisa I. Shitikova
    • 4
  • Anatolii F. Lutsyuk
    • 3
  • Aleksandr A. Gruzevskii
    • 1
  • Victor E. Kuz’min
    • 3
    Email author
  1. 1.Odessa National Medical UniversityOdessaUkraine
  2. 2.National Diagnostic Center “BPPP+”, Ltd.OdessaUkraine
  3. 3.A. V. Bogatsky Physico-Chemical InstituteNational Academy of Sciences of UkraineOdessaUkraine
  4. 4.Ukrainian I. I. Mechnikov Anti-Plague Research InstituteOdessaUkraine

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