Department of Medicinal Chemistry
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Design, synthesis, and biological evaluation of novel combretastatin A-4 thio derivatives as microtubule targeting agents.
Tomasz Stefański, Renata Mikstacka, Rafał Kurczab, Zbigniew Dutkiewicz, Małgorzata Kucińska, Marek Murias, Małgorzata Zielińska-Przyjemska, Michał Cichocki, Anna Teubert, Mariusz Kaczmarek, Adam Hogendorf, Stanisław Sobiak
European journal of medicinal chemistry, S0223-5234(17)30953-4 10.1016/j.ejmech.2017.11.050
PMID:29291446 -
The Effect of Carboxamide/Sulfonamide Replacement in Arylpiperazinylalkyl Derivatives on Activity to Serotonin and Dopamine Receptors.
Piotr Kowalski, Paweł Śliwa, Grzegorz Satała, Rafał Kurczab, Ilona Bartos, Karol Zuchowicz
Archiv der Pharmazie, 10.1002/ardp.201700090
PMID:28846141 -
Lactose esters: synthesis and biotechnological applications.
Jakub Staroń, Janusz M Dąbrowski, Ewelina Cichoń, Maciej Guzik
Critical reviews in biotechnology, 10.1080/07388551.2017.1332571
PMID:28585445 -
Reaction mechanism of sterol hydroxylation by steroid C25 dehydrogenase - Homology model, reactivity and isoenzymatic diversity.
Agnieszka Rugor, Anna Wójcik-Augustyn, Ewa Niedzialkowska, Stefan Mordalski, Jakub Staroń, Andrzej Bojarski, Maciej Szaleniec
Journal of inorganic biochemistry, S0162-0134(17)30009-0 10.1016/j.jinorgbio.2017.04.027
PMID:28482186 -
Low-basicity 5-HT7 Receptor Agonists Synthesized Using the van Leusen Multicomponent Protocol.
Adam S Hogendorf, Agata Hogendorf, Rafał Kurczab, Grzegorz Satała, Tomasz Lenda, Maria Walczak, Gniewomir Latacz, Jadwiga Handzlik, Katarzyna Kieć-Kononowicz, Joanna M Wierońska, Monika Woźniak, Paulina Cieślik, Ryszard Bugno, Jakub Staroń, Andrzej J Bojarski
Scientific reports, 10.1038/s41598-017-00822-4
PMID:28473721 -
The impact of the halogen bonding on D2 and 5-HT1A/5-HT7 receptor activity of azinesulfonamides of 4-[(2-ethyl)piperidinyl-1-yl]phenylpiperazines with antipsychotic and antidepressant properties.
Anna Partyka, Rafał Kurczab, Vittorio Canale, Grzegorz Satała, Krzysztof Marciniec, Agnieszka Pasierb, Magdalena Jastrzębska-Więsek, Maciej Pawłowski, Anna Wesołowska, Andrzej J Bojarski, Paweł Zajdel
Bioorganic & medicinal chemistry, S0968-0896(16)30902-6 10.1016/j.bmc.2017.04.046
PMID:28529043 -
The computer-aided discovery of novel family of the 5-HT6 serotonin receptor ligands among derivatives of 4-benzyl-1,3,5-triazine.
Dorota Łażewska, Rafał Kurczab, Małgorzata Więcek, Katarzyna Kamińska, Grzegorz Satała, Magdalena Jastrzębska-Więsek, Anna Partyka, Andrzej J Bojarski, Anna Wesołowska, Katarzyna Kieć-Kononowicz, Jadwiga Handzlik
European journal of medicinal chemistry, S0223-5234(17)30290-8 10.1016/j.ejmech.2017.04.033
PMID:28441580 -
The influence of the negative-positive ratio and screening database size on the performance of machine learning-based virtual screening.
Rafał Kurczab, Andrzej J Bojarski
PloS one, 10.1371/journal.pone.0175410
PMID:28384344 -
Novel 5-HT7R antagonists, arylsulfonamide derivatives of (aryloxy)propyl piperidines: Add-on effect to the antidepressant activity of SSRI and DRI, and pro-cognitive profile.
Vittorio Canale, Anna Partyka, Rafał Kurczab, Martyna Krawczyk, Tomasz Kos, Grzegorz Satała, Bartłomiej Kubica, Magdalena Jastrzębska-Więsek, Anna Wesołowska, Andrzej J Bojarski, Piotr Popik, Paweł Zajdel
Bioorganic & medicinal chemistry, S0968-0896(17)30359-0 10.1016/j.bmc.2017.03.057
PMID:28391970 -
Pyrano[2,3,4-cd]indole as a Scaffold for Selective Nonbasic 5-HT6R Ligands.
Jakub Staroń, Stefan Mordalski, Dawid Warszycki, Grzegorz Satała, Adam Hogendorf, Andrzej J Bojarski
ACS medicinal chemistry letters, 10.1021/acsmedchemlett.6b00482
PMID:28435524 -
Ligand-guided homology modelling of the GABAB2 subunit of the GABAB receptor.
Thibaud Freyd, Dawid Warszycki, Stefan Mordalski, Andrzej J Bojarski, Ingebrigt Sylte, Mari Gabrielsen
PloS one, 10.1371/journal.pone.0173889
PMID:28323850 -
The evaluation of QM/MM-driven molecular docking combined with MM/GBSA calculations as a halogen-bond scoring strategy.
Rafał Kurczab
Acta crystallographica Section B, Structural science, crystal engineering and materials, 10.1107/S205252061700138X
PMID:28362281 -
Practical application of the Average Information Content Maximization (AIC-MAX) algorithm: selection of the most important structural features for serotonin receptor ligands.
Dawid Warszycki, Marek Śmieja, Rafał Kafel
Molecular diversity, 10.1007/s11030-017-9729-8
PMID:28185036 -
From Homology Models to a Set of Predictive Binding Pockets-a 5-HT1A Receptor Case Study.
Dawid Warszycki, Manuel Rueda, Stefan Mordalski, Kurt Kristiansen, Grzegorz Satała, Krzysztof Rataj, Zdzisław Chilmonczyk, Ingebrigt Sylte, Ruben Abagyan, Andrzej J Bojarski
Journal of chemical information and modeling, 10.1021/acs.jcim.6b00263
PMID:28055203 -
New N- and O-arylpiperazinylalkyl pyrimidines and 2-methylquinazolines derivatives as 5-HT7 and 5-HT1A receptor ligands: Synthesis, structure-activity relationships, and molecular modeling studies.
Sebastiano Intagliata, Maria N Modica, Valeria Pittalà, Loredana Salerno, Maria A Siracusa, Alfredo Cagnotto, Mario Salmona, Rafał Kurczab, Giuseppe Romeo
Bioorganic & medicinal chemistry, S0968-0896(16)31494-8 10.1016/j.bmc.2016.12.039
PMID:28063784
- 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
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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)
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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)
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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)
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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)
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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.
