Andrei I Khlebnikov

Summary

Country: Russia

Publications

  1. ncbi Structure-activity relationship analysis of N-benzoylpyrazoles for elastase inhibitory activity: a simplified approach using atom pair descriptors
    Andrei I Khlebnikov
    Department of Chemistry, Altai State Technical University, Barnaul 656038, Russia
    Bioorg Med Chem 16:2791-802. 2008
  2. ncbi Computational structure-activity relationship analysis of small-molecule agonists for human formyl peptide receptors
    Andrei I Khlebnikov
    Department of Chemistry, Altai State Technical University, Barnaul 656038, Russia
    Eur J Med Chem 45:5406-19. 2010
  3. ncbi Computational structure-activity relationship analysis of non-peptide inducers of macrophage tumor necrosis factor-alpha production
    Andrei I Khlebnikov
    Department of Chemistry, Altai State Technical University, Barnaul 656038, Russia
    Bioorg Med Chem 16:9302-12. 2008
  4. ncbi Molecular docking of 2-(benzimidazol-2-ylthio)-N-phenylacetamide-derived small-molecule agonists of human formyl peptide receptor 1
    Andrei I Khlebnikov
    Department of Chemistry, Altai State Technical University, Barnaul, Russia
    J Mol Model 18:2831-43. 2012
  5. ncbi Improved quantitative structure-activity relationship models to predict antioxidant activity of flavonoids in chemical, enzymatic, and cellular systems
    Andrei I Khlebnikov
    Department of Chemistry, Altai State Technical University, Barnaul 656038, Russia
    Bioorg Med Chem 15:1749-70. 2007
  6. ncbi Synthesis of new bitopic tetra(pyrazolyl)-ligands with neopentane and O-xylene backbones
    Andrei S Potapov
    Department of Chemistry, Altai State Technical University, 46 Lenin Street, Barnaul 656038, Russia
    ScientificWorldJournal 2012:798271. 2012
  7. ncbi Quantitative structure-activity relationships for small non-peptide antagonists of CXCR2: indirect 3D approach using the frontal polygon method
    Andrei I Khlebnikov
    Department of Chemistry, Altai State Technical University, Barnaul 656099, Russia
    Bioorg Med Chem 14:352-65. 2006
  8. ncbi N-benzoylpyrazoles are novel small-molecule inhibitors of human neutrophil elastase
    Igor A Schepetkin
    Department of Veterinary Molecular Biology, Montana State University, Bozeman, Montana 59717, USA
    J Med Chem 50:4928-38. 2007
  9. ncbi High-throughput screening for small-molecule activators of neutrophils: identification of novel N-formyl peptide receptor agonists
    Igor A Schepetkin
    Department of Veterinary Molecular Biology, Montana State University, Bozeman, Montana 59717, USA
    Mol Pharmacol 71:1061-74. 2007
  10. ncbi Novel small-molecule inhibitors of anthrax lethal factor identified by high-throughput screening
    Igor A Schepetkin
    Department of Veterinary Molecular Biology, Montana State University, Bozeman, Montana 59717, USA
    J Med Chem 49:5232-44. 2006

Collaborators

  • Claes Dahlgren
  • Igor A Schepetkin
  • Mark T Quinn
  • Andrei S Potapov
  • Liliya N Kirpotina
  • Evgenia A Nudnova
  • Tatiana V Petrenko
  • Vladimir D Ogorodnikov

Detail Information

Publications10

  1. ncbi Structure-activity relationship analysis of N-benzoylpyrazoles for elastase inhibitory activity: a simplified approach using atom pair descriptors
    Andrei I Khlebnikov
    Department of Chemistry, Altai State Technical University, Barnaul 656038, Russia
    Bioorg Med Chem 16:2791-802. 2008
    ..This simplified SAR approach may be useful to qualitative SAR recognition problems in a variety of data sets...
  2. ncbi Computational structure-activity relationship analysis of small-molecule agonists for human formyl peptide receptors
    Andrei I Khlebnikov
    Department of Chemistry, Altai State Technical University, Barnaul 656038, Russia
    Eur J Med Chem 45:5406-19. 2010
    ..Importantly, these SAR rules represent a relatively simple classification approach for virtual screening of FPR1/FPR2 agonists...
  3. ncbi Computational structure-activity relationship analysis of non-peptide inducers of macrophage tumor necrosis factor-alpha production
    Andrei I Khlebnikov
    Department of Chemistry, Altai State Technical University, Barnaul 656038, Russia
    Bioorg Med Chem 16:9302-12. 2008
    ..Thus, these rules represent a relatively simple classification approach for de novo design of small-molecule inducers of macrophage TNF-alpha production...
  4. ncbi Molecular docking of 2-(benzimidazol-2-ylthio)-N-phenylacetamide-derived small-molecule agonists of human formyl peptide receptor 1
    Andrei I Khlebnikov
    Department of Chemistry, Altai State Technical University, Barnaul, Russia
    J Mol Model 18:2831-43. 2012
    ..The understanding of these molecular features will likely prove beneficial in future design of novel FPR1 agonists based on the benzimidazole scaffold...
  5. ncbi Improved quantitative structure-activity relationship models to predict antioxidant activity of flavonoids in chemical, enzymatic, and cellular systems
    Andrei I Khlebnikov
    Department of Chemistry, Altai State Technical University, Barnaul 656038, Russia
    Bioorg Med Chem 15:1749-70. 2007
    ....
  6. ncbi Synthesis of new bitopic tetra(pyrazolyl)-ligands with neopentane and O-xylene backbones
    Andrei S Potapov
    Department of Chemistry, Altai State Technical University, 46 Lenin Street, Barnaul 656038, Russia
    ScientificWorldJournal 2012:798271. 2012
    ..Several new bitopic pyrazole-containing ligands were prepared from the corresponding pyrazoles and tetrahalogen or tetratosyloxy derivatives of o-xylene and neopentane in a superbasic medium (KOH-DMSO)...
  7. ncbi Quantitative structure-activity relationships for small non-peptide antagonists of CXCR2: indirect 3D approach using the frontal polygon method
    Andrei I Khlebnikov
    Department of Chemistry, Altai State Technical University, Barnaul 656099, Russia
    Bioorg Med Chem 14:352-65. 2006
    ..These data suggest the QSAR models developed here may be useful in guiding the design of CXCR2 antagonists from molecular fragments...
  8. ncbi N-benzoylpyrazoles are novel small-molecule inhibitors of human neutrophil elastase
    Igor A Schepetkin
    Department of Veterinary Molecular Biology, Montana State University, Bozeman, Montana 59717, USA
    J Med Chem 50:4928-38. 2007
    ..Thus, N-benzoylpyrazole derivatives represent novel structural templates that can be utilized for further development of efficacious NE inhibitors...
  9. ncbi High-throughput screening for small-molecule activators of neutrophils: identification of novel N-formyl peptide receptor agonists
    Igor A Schepetkin
    Department of Veterinary Molecular Biology, Montana State University, Bozeman, Montana 59717, USA
    Mol Pharmacol 71:1061-74. 2007
    ..These studies enhance our understanding of FPR ligand/receptor interactions and structure/activity relationships of phagocyte agonists...
  10. ncbi Novel small-molecule inhibitors of anthrax lethal factor identified by high-throughput screening
    Igor A Schepetkin
    Department of Veterinary Molecular Biology, Montana State University, Bozeman, Montana 59717, USA
    J Med Chem 49:5232-44. 2006
    ..These novel LF inhibitors and the structural scaffolds identified as important for inhibitory activity represent promising leads to pursue for further LF inhibitor development...