Department of Medicinal Chemistry

  • Antifungal, anticancer and docking studies of colchiceine complexes with monovalent metal cation salts. Joanna Kurek, Patrycja Kwaśniewska-Sip, Krzysztof Myszkowski, Grzegorz Cofta, Piotr Barczyński, Marek Murias, Rafał Kurczab, Paweł Śliwa, Piotr Przybylski
    Chemical biology & drug design, 10.1111/cbdd.13583
    PMID:31260187
  • undefined Wesam Ali, Małgorzata Więcek, Dorota Łażewska, Rafał Kurczab, Magdalena Jastrzębska-Więsek, Grzegorz Satała, Katarzyna Kucwaj-Brysz, Annamaria Lubelska, Monika Głuch-Lutwin, Barbara Mordyl, Agata Siwek, Muhammad Jawad Nasim, Anna Partyka, Sylwia Sudoł, Gniewomir Latacz, Anna Wesołowska, Katarzyna Kieć-Kononowicz, Jadwiga Handzlik
    European journal of medicinal chemistry, S0223-5234(19)30547-1 10.1016/j.ejmech.2019.06.022
    PMID:31229876
  • undefined Adam S Hogendorf, Agata Hogendorf, Rafał Kurczab, Justyna Kalinowska-Tłuścik, Piotr Popik, Agnieszka Nikiforuk, Martyna Krawczyk, Grzegorz Satała, Tomasz Lenda, Joanna Knutelska, Ryszard Bugno, Jakub Staroń, Wojciech Pietruś, Mikołaj Matłoka, Krzysztof Dubiel, Rafał Moszczyński-Pętkowski, Jerzy Pieczykolan, Maciej Wieczorek, Bogusław Pilarski, Paweł Zajdel, Andrzej J Bojarski
    European journal of medicinal chemistry, S0223-5234(19)30518-5 10.1016/j.ejmech.2019.06.001
    PMID:31229883
  • Recognition of repulsive and attractive regions of selected serotonin receptor binding site using FMO-EDA approach. Paweł Śliwa, Rafał Kurczab, Rafał Kafel, Anna Drabczyk, Jolanta Jaśkowska
    Journal of molecular modeling, 10.1007/s00894-019-3995-6
    PMID:30955095
  • undefined Katarzyna Grychowska, Severine Chaumont-Dubel, Rafał Kurczab, Paulina Koczurkiewicz, Caroline Deville, Martyna Krawczyk, Wojciech Pietruś, Grzegorz Satała, Szymon Buda, Kamil Piska, Marcin Drop, Xavier Bantreil, Frédéric Lamaty, Elżbieta Pękala, Andrzej J Bojarski, Piotr Popik, Philippe Marin, Paweł Zajdel
    ACS chemical neuroscience, 10.1021/acschemneuro.8b00618
    PMID:30896921
  • undefined Adam S Hogendorf, Agata Hogendorf, Katarzyna Popiołek-Barczyk, Agata Ciechanowska, Joanna Mika, Grzegorz Satała, Maria Walczak, Gniewomir Latacz, Jadwiga Handzlik, Katarzyna Kieć-Kononowicz, Evgeni Ponimaskin, Sophie Schade, Andre Zeug, Monika Bijata, Maciej Kubicki, Rafał Kurczab, Tomasz Lenda, Jakub Staroń, Ryszard Bugno, Beata Duszyńska, Bogusław Pilarski, Andrzej J Bojarski
    European journal of medicinal chemistry, S0223-5234(19)30228-4 10.1016/j.ejmech.2019.03.017
    PMID:30904783
  • undefined Dorota Łażewska, Rafał Kurczab, Małgorzata Więcek, Grzegorz Satała, Katarzyna Kieć-Kononowicz, Jadwiga Handzlik
    Bioorganic chemistry, S0045-2068(18)30763-6 10.1016/j.bioorg.2018.11.046
    PMID:30530073
  • Salt Bridge in Ligand-Protein Complexes-Systematic Theoretical and Statistical Investigations. Rafał Kurczab, Paweł Śliwa, Krzysztof Rataj, Rafał Kafel, Andrzej J Bojarski
    Journal of chemical information and modeling, 10.1021/acs.jcim.8b00266
    PMID:30351056
  • Computer-Aided Studies for Novel Arylhydantoin 1,3,5-Triazine Derivatives as 5-HT₆ Serotonin Receptor Ligands with Antidepressive-Like, Anxiolytic and Antiobesity Action In Vivo. Rafał Kurczab, Wesam Ali, Dorota Łażewska, Magdalena Kotańska, Magdalena Jastrzębska-Więsek, Grzegorz Satała, Małgorzata Więcek, Annamaria Lubelska, Gniewomir Latacz, Anna Partyka, Małgorzata Starek, Monika Dąbrowska, Anna Wesołowska, Claus Jacob, Katarzyna Kieć-Kononowicz, Jadwiga Handzlik
    Molecules (Basel, Switzerland), E2529 10.3390/molecules23102529
    PMID:30282913
  • undefined Rafał Kurczab, Vittorio Canale, Grzegorz Satała, Paweł Zajdel, Andrzej J Bojarski
    Journal of medicinal chemistry, 10.1021/acs.jmedchem.8b00828
    PMID:30188719
  • 7-Deacetyl-10-alkylthiocolchicine derivatives - new compounds with potent anticancer and fungicidal activity. Joanna Kurek, Patrycja Kwaśniewska-Sip, Krzysztof Myszkowski, Grzegorz Cofta, Marek Murias, Piotr Barczyński, Beata Jasiewicz, Rafał Kurczab
    MedChemComm, 10.1039/c8md00352a
    PMID:30429975
  • undefined Katarzyna Grychowska, Rafał Kurczab, Paweł Śliwa, Grzegorz Satała, Krzysztof Dubiel, Mikołaj Matłoka, Rafał Moszczyński-Pętkowski, Jerzy Pieczykolan, Andrzej J Bojarski, Paweł Zajdel
    Bioorganic & medicinal chemistry, S0968-0896(18)30641-2 10.1016/j.bmc.2018.05.033
    PMID:29853337
  • undefined Krzysztof Marciniec, Rafał Kurczab, Maria Książek, Ewa Bębenek, Elwira Chrobak, Grzegorz Satała, Andrzej J Bojarski, Joachim Kusz, Paweł Zajdel
    Chemistry Central journal, 10.1186/s13065-018-0422-5
    PMID:29748774
  • undefined Katarzyna Kucwaj-Brysz, Rafał Kurczab, Ewa Żesławska, Annamaria Lubelska, Małgorzata Anna Marć, Gniewomir Latacz, Grzegorz Satała, Wojciech Nitek, Katarzyna Kieć-Kononowicz, Jadwiga Handzlik
    MedChemComm, 10.1039/c8md00168e
    PMID:30108992
  • undefined Katarzyna Kucwaj-Brysz, Rafał Kurczab, Magdalena Jastrzębska-Więsek, Ewa Żesławska, Grzegorz Satała, Wojciech Nitek, Anna Partyka, Agata Siwek, Agnieszka Jankowska, Anna Wesołowska, Katarzyna Kieć-Kononowicz, Jadwiga Handzlik
    European journal of medicinal chemistry, S0223-5234(18)30115-6 10.1016/j.ejmech.2018.01.093
    PMID:29425815
More publications
  • Rational design of 5-HT6R ligands using a bioisosteric strategy: synthesis, biological evaluation and molecular modelling. Jakub Staroń, Dawid Warszycki, Justyna Kalinowska-Tłuścik, Grzegorz Satała, Andrzej J. Bojarski. RSC Advances, 2015, 5, 25806-25815, DOI: 10.1039/c5ra00054h
  • UV-induced cyclization in myrcene isolated in rigid argon environment: FT-IR and DFT study. Agnieszka Kaczor; Igor Reva; Dawid Warszycki; Rui Fausto.  Journal of Photochemistry and Photobiology A: Chemistry. 2011, 222, 1-9 (http://www.sciencedirect.com/science/article/pii/S1010603011000694)
  • UV-induced cyclization in myrcene isolated in rigid argon environment: FT-IR and DFT study.

    Agnieszka Kaczor; Igor Reva; Dawid Warszycki; Rui Fausto.  Journal of Photochemistry and Photobiology A: Chemistry. 2011, 222, 1-9 (http://www.sciencedirect.com/science/article/pii/S1010603011000694)
  • UV-induced cyclization in myrcene isolated in rigid argon environment: FT-IR and DFT study.

    Agnieszka Kaczor; Igor Reva; Dawid Warszycki; Rui Fausto.  Journal of Photochemistry and Photobiology A: Chemistry. 2011, 222, 1-9 (http://www.sciencedirect.com/science/article/pii/S1010603011000694)
  • UV-induced cyclization in myrcene isolated in rigid argon environment: FT-IR and DFT study.

    Agnieszka Kaczor; Igor Reva; Dawid Warszycki; Rui Fausto.  Journal of Photochemistry and Photobiology A: Chemistry. 2011, 222, 1-9 (http://www.sciencedirect.com/science/article/pii/S1010603011000694)
More publications
  • The role of halogen bonding in interaction of ligands with SERT., Jakub Staroń, PhD
    The  aim  of  this  study  is  to  investigate the  role  of  halogen  bonds  (XB) in  binding  ligands  to serotonin
    transporter (SERT) and their influence on ligand selectivity over other receptors, in particular 5-HT6R and 5-HT7R. The basic scientific question in this project is: “Is it possible to increase ligand affinity to SERT by
    careful  design  and  introduction  of  a  halogen  bond  donor  into  ligand  structure?”. Additional  goal  is  the
    verification  of  hypothesis  that  appropriate  design  of  a  molecule  possessing  halogen  bond  donor(s)  it  is
    possible to create polypharmacological  molecule  with affinity for SERT and/or 5-HT6R, 5-HT7R. 5-HT6R
    and 5-HT7R were selected as additional targets as they were recently recognized as a very promising targets
    for  new  antidepressant  therapeutics  possessing  procognitive  properties.  To  the  best  of  our  knowledge
    substance simultaneously exhibiting affinity for SERT and 5-HT6R has never been reported before.
  • Development of protocol for in silico design of compounds inhibit Ebola virus infection, Dawid Warszycki, PhD
    Research project objectives/hypothesisThe primary scientific objective of this project is to develop a protocol for the in silico design of inhibitors of Niemann-Pick type C1 protein (NPC1). The quintessence of this research is to create a virtual screening (VS) protocol that permits the prioritization of chemical compounds based on their potential inhibitory activity against NPC1 (a protein playing a crucial function in the process of Ebola virus infection). The application and improvement of the existing conceptual methodology targeting NPC1 inhibitors will allow broad exploration of the chemical space in search of new antiviral agents.Research methodologyThe screening cascade will consist of several subsequent steps (prefiltering, pharmacophore mapping, docking protocol, ADMETox filter, clustering, visual inspection) to select the most valuable structures. Each stage of the cascade will be created using procedures developed at the Department of Medicinal Chemistry. In the planned tasks, the following methodologies will be upgraded and applied: descriptors calculations and analyses, pharmacophore modeling, homology modeling and docking protocols. The VS protocol will be used to evaluate a virtual combinatorial library of compounds (created within the project) and to select compounds for synthesis (in independent projects initiated in the Institute of Organic Chemistry and Analytical Chemistry in Orleans, France) of the most promising structures.Research project impactThe realization of this project will create opportunities to establish structural requirements for compounds with potency to function as new antiviral agents that target one of the most dangerous viruses. The obtained VS protocol can be used multiple times both in commercial and virtual compound libraries. Moreover, this project will strengthen scientific cooperation between the Department of Medicinal Chemistry and the Institute of Organic Chemistry and Analytical Chemistry initiated several years ago. Positive results of this project may result in additional joint applications to extend the issues undertaken herein.At least one scientific publication in a journal from the Master Journal List will be the notable effects of the research. It has to be stressed, however, that depending on how many different groups of NPC1 inhibitors will be further developed in Orleans more publications are highly probable. In addition, the results will be presented at both international and national conferences. The implementation of this program will also enhance the experience of the candidate in the management of independent scientific projects.  
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Head

Professor Andrzej Bojarski, PhD

Phone number: +48 12 6623365
E-mail: bojarski@if-pan.krakow.pl

interests

techniques

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