Polishchuk Pavlo Ph.D., M.Sc.

Phone: +420 585632298
Curriculum Vitae: download here

I'm a chemoinformatician mainly involved in medicinal chemistry projects of development of new drugs. Author of approaches and open-source software for:

  • representation of chemical compounds, their mixtures, quasi-mixtures and chemical reactions for modeling purposes;
  • interpretation of QSAR models to retrieve SAR knowledge and use for drug design;
  • 3D pharmacophore hashes, ligand-based and MD-based pharmacophore modeling.

Author of 5 book chapters and more than 50 journal papers.

Research interests: Medicinal and bioorganic chemistry, molecular and drug design, chemoinformatics, machine learning and data mining, programming.


Publications (Impact Factor Journals)

  • [13]
    MADZHIDOV, T., A. RAKHIMBEKOVA, A. KUTLUSHINA a P. POLISHCHUK. Probabilistic Approach for Virtual Screening Based on Multiple Pharmacophores. Molecules. 2020, 25(2), pii: E385. ISSN 1420-3049. IF: 3.060. PMID: 31963467
  • [12]
    POLISHCHUK, P., A. KUTLUSHINA, D. BASHIROVA, O. MOKSHYNA a T. MADZHIDOV. Virtual Screening Using Pharmacophore Models Retrieved from Molecular Dynamic Simulations. International Journal of Molecular Sciences. 2019, 20(23), pii: E5834. ISSN 1422-0067. IF: 4.183. PMID: 31757043
  • [11]
    NOWIKOW, C., R. FUERST, M. KAUDERER, C. DANK, W. SCHMID, M. HAJDÚCH, J. ŘEHULKA, S. GURSKÁ, O. MOKSHYNA, P. POLISHCHUK, I. ZUPKO, P. DŽUBÁK a U. RINNER. Synthesis and biological evaluation of cis-restrained carbocyclic combretastatin A-4 analogs: Influence of the ring size and saturation on cytotoxic properties. Bioorganic & Medicinal Chemistry. 2019, 27(19), 115032. ISSN 0968-0896. IF: 2.802. PMID: 31401010
  • [10]
    TINKOV, O., V. GRIGOREV, P. POLISHCHUK, A. YARKOV a O. RAEVSKY. nemá IF a dedi_nezadávat_[QSAR investigation of acute toxicity of organic compounds during oral administration to mice]. Biomedit︠s︡inskai︠a︡ Khimii︠a︡. 2019, 65(2), 123-132. ISSN 2310-6972. IF: ?. PMID: 30950817
  • [9]
    KUTLUSHINA, A., A. KHAKIMOVA, T. MADZHIDOV a P. POLISHCHUK. Ligand-Based Pharmacophore Modeling Using Novel 3D Pharmacophore Signatures. Molecules. 2019, 23(12), pii: E3094. ISSN 1420-3049. IF: 3.098. PMID: 30486389
  • [8]
    GIMADIEV, T., T. MADZHIDOV, I. TETKO, R. NUGMANOV, I. CASCIUS, O. KLIMCHUK, A. BODROV, P. POLISHCHUK, I. ANTIPIN a A. VARNEK. Bimolecular Nucleophilic Substitution Reactions: Predictive Models for Rate Constants and Molecular Reaction Pairs Analysis. Molecular Informatics. 2018, 38(4), e1800104. ISSN 1868-1743. IF: 1.955. PMID: 30468317
  • [7]
    MATVEIEVA, M., M. CRONIN a P. POLISHCHUK. Interpretation of QSAR Models: Mining Structural Patterns Taking into Account Molecular Context. Molecular Informatics. 2018, 38(3), e1800084. ISSN 1868-1743. IF: 1.955. PMID: 30346106
  • [6]
    POLISHCHUK, P. Interpretation of Quantitative Structure-Activity Relationship Models: Past, Present, and Future. Journal of Chemical Information and Modeling. 2017, 57(11), 2618-2639. ISSN 1549-9596. IF: 3.760. PMID: 28949520
  • [5]
    POLISHCHUK, P., T. MADZHIDOV, T. GIMADIEV, A. BODROV, R. NUGMANOV a A. VARNEK. Structure-reactivity modeling using mixture-based representation of chemical reactions. Journal of Computer-aided Molecular Design. 2017, 31(9), 829-839. ISSN 0920-654X. IF: 3.028. PMID: 28752345
  • [4]
    KLIMENKO, K., S. LYAHKOV, M. SHIBINSKAYA, A. KARPENKO, G. MARCOU, D. HORVATH, M. ZENKOVA, E. GONCHAROVA, R. AMIRKHANOV, A. KRYSKO, S. ANDRONATI, I. LEVANDOVSKIY, P. POLISHCHUK, V. KUZMIN a A. VARNEK. Virtual screening, synthesis and biological evaluation of DNA intercalating antiviral agents. Bioorganic & Medicinal Chemistry Letters. 2017, 27(16), 3915-3919. ISSN 0960-894X. IF: 2.454. PMID: 28666733
  • [3]
    POLISHCHUK, P., O. TINKOV, T. KHRISTOVA, L. OGNICHENKO, A. KOSINSKAYA, A. VARNEK a V. KUZMIN. Structural and Physico-Chemical Interpretation (SPCI) of QSAR Models and Its Comparison with Matched Molecular Pair Analysis. Journal of Chemical Information and Modeling. 2016, -(-), -. ISSN 1549-9596. IF: 3.760. PMID: 27419846
  • [2]
    KLIMENKO, K., V. KUZMIN, L. OGNICHENKO, L. GORB, M. SHUKLA, N. VINAS, E. PERKINS, P. POLISHCHUK, A. ARTEMENKO a J. LESZCZYNSKI. Novel enhanced applications of QSPR models: Temperature dependence of aqueous solubility. Journal of Computational Chemistry. 2016, 37(22), 2045-2051. ISSN 0192-8651 . IF: 3.229. PMID: 27338156
  • [1]
    KRYSKO, A., A. KORNYLOV, P. POLISHCHUK, G. SAMOYLENKO, O. KRYSKO, T. KABANOVA, V. KRAVTSOV, V. KABANOV, B. WICHER a S. ANDRONATI. Synthesis, biological evaluation and molecular docking studies of 2-piperazin-1-yl-quinazolines as platelet aggregation inhibitors and ligands of integrin alpha(IIb)beta(3). Bioorganic and Medicinal Chemistry Letters. 2016, 26(7), 1839-1843. ISSN 0960-894X. IF: 2.454. PMID: 26912112
  • Publications (Other Reviewed Journals)

  • [1]
    MOKSHYNA, E., P. POLISHCHUK, V. NEDOSTUP a V. KUZMIN. QSPR-Modeling for the Second Virial Cross-Coefficients of Binary Organic Mixtures. International Journal of Quantitative Structure-Property Relationships. 2016, 2016(1), 72-84. ISSN 2379-7487.

  • Doctoral students mentor:

    [3] Aleksandra Nikonenko, xxx,
    Ph.D. specialization: , status: Ongoing, from: 2019
    [2] Alina Kutlushina, Development of 3D pharmacophore signatures and their application in drug design,
    Ph.D. specialization: , status: Ongoing, from: 2019
    [1] Mariia Matveieva, Automatic mining of relationships between structure and activity in chemical databases,
    Ph.D. specialization: Pediatrics, status: Ongoing, from: 2016

    Master students mentor:

    [1] Dávid Švec, Data-driven optimization of compound properties and exploration of a chemical space,
    status: Graduated, from: 2016 to 2019