Publications 2017

  1. Rugor, A.; Tataruch, M.; Staron, J.; Dudzik, A.; Niedzialkowska, E.; Nowak, P.; Hogendorf, A.; Michalik-Zym, A.; Napruszewska, D. B.; Jarzebski, A.; Szymanska, K.; Bialas, W.; Szaleniec, M. Regioselective hydroxylation of cholecalciferol, cholesterol and other sterol derivatives by steroid C25 dehydrogenase. Appl. Microbiol. Biotechnol. 2017, 101, 1163-1174 (https://www.ncbi.nlm.nih.gov/pubmed/27726023)
  2. Podlewska, S.; Czarnecki, W. M.; Kafel, R.; Bojarski, A. J. Creating the New from the Old: Combinatorial Libraries Generation with Machine-Learning-Based Compound Structure Optimization. J. Chem. Inf. Model. 2017, 57, 133-147 (https://pubs.acs.org/doi/abs/10.1021/acs.jcim.6b00426)
  3. Freyd, T.; Warszycki, D.; Mordalski, S.; Bojarski, A. J.; Sylte, I.; Gabrielsen, M. Ligand-guided homology modelling of the GABAB2 subunit of the GABAB receptor. PLoS One 2017, 12, e0173889 (https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5360267/)
  4. Kurczab, R.; Bojarski, A. J. The influence of the negative-positive ratio and screening database size on the performance of machine learning-based virtual screening. PLoS One 2017, 12, e0175410 (https://www.ncbi.nlm.nih.gov/pubmed/28384344)
  5. Chilmonczyk, Z.; Bojarski, A. J.; Pilc, A.; Sylte, I. Serotonin transporter and receptor ligands with antidepressant activity as neuroprotective and proapoptotic agents. Pharmacol. Rep. 2017, 69, 469-478 (https://www.ncbi.nlm.nih.gov/pubmed/28324844)
  6. Kurczab, R. The evaluation of QM/MM-driven molecular docking combined with MM/GBSA calculations as a halogen-bond scoring strategy. Acta Crystallogr. B Struct. Sci. Cryst. Eng. Mater. 2017, 73, 188-194 (https://www.ncbi.nlm.nih.gov/pubmed/28362281)
  7. Canale, V.; Partyka, A.; Kurczab, R.; Krawczyk, M.; Kos, T.; Satala, G.; Kubica, B.; Jastrzebska-Wiesek, M.; Wesolowska, A.; Bojarski, A. J.; Popik, P.; Zajdel, P. 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. Bioorg. Med. Chem. 2017, 25, 2789-2799 (https://www.ncbi.nlm.nih.gov/pubmed/28391970)
  8. Lazewska, D.; Kurczab, R.; Wiecek, M.; Kaminska, K.; Satala, G.; Jastrzebska-Wiesek, M.; Partyka, A.; Bojarski, A. J.; Wesolowska, A.; Kiec-Kononowicz, K.; Handzlik, J. The computer-aided discovery of novel family of the 5-HT6 serotonin receptor ligands among derivatives of 4-benzyl-1,3,5-triazine. Eur. J. Med. Chem. 2017, 135, 117-124 (https://www.ncbi.nlm.nih.gov/pubmed/28441580)
  9. Saadeh, H. A.; Khasawneh, M. A.; Samadi, A.; El-Haty, I. A.; Satala, G.; Bojarski, A. J. ; Ismaili, L.; Bautista-Aguilera, O. M.; Yanez, M.; Mestres, J.; Marco-Contelles, J. Design, Synthesis and Biological Evaluation of Potent Antioxidant 1-(2,5-Dimethoxybenzyl)-4-arylpiperazines and N-Azolyl Substituted 2-(4-Arylpiperazin-1-yl). Chem. Sel. 2017, 2, 3854-3859 (https://onlinelibrary.wiley.com/doi/full/10.1002/slct.201700397)
  10. Subbotina, A.; Ravna, A. W.; Lysaa, R. A.; Abagyan, R.; Bugno, R.; Sager, G. Inhibition of PDE5A1 guanosine cyclic monophosphate (cGMP) hydrolysing activity by sildenafil analogues that inhibit cellular cGMP efflux. J. Pharm. Pharmacol. 2017, 69, 675-683 (https://www.ncbi.nlm.nih.gov/pubmed/28211580)
  11. Warszycki, D.; Smieja, M.; Kafel, R. Practical application of the Average Information Content Maximization (AIC-MAX) algorithm: selection of the most important structural features for serotonin receptor ligands. Mol. Div. 2017, 21, 407-412 (https://www.ncbi.nlm.nih.gov/pubmed/28185036)
  12. Rugor, A.; Wojcik-Augustyn, A.; Niedzialkowska, E.; Mordalski, S.; Staron, J.; Bojarski, A.; Szaleniec, M. Reaction mechanism of sterol hydroxylation by steroid C25 dehydrogenase – Homology model, reactivity and isoenzymatic diversity. J. Inorg. Biochem. 2017, 173, 28-43 (https://www.ncbi.nlm.nih.gov/pubmed/28482186)
  13. Orzel, L.; Was, J.; Kania, A.; Susz, A.; Rutkowska-Zbik, D.; Staron, J.; Witko, M.; Stochel, G.; Fiedor, L. Factors controlling the reactivity of divalent metal ions towards pheophytin a. J. Biol. Inorg. Chem. 2017, 22, 941-952 (https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5517585/)
  14. Kowalski, P.; Sliwa, P.; Satala, G.; Kurczab, R.; Bartos, I.; Zuchowicz, K. The Effect of Carboxamide/Sulfonamide Replacement in Arylpiperazinylalkyl Derivatives on Activity to Serotonin and Dopamine Receptors. Arch. Pharm. (Weinheim) 2017, 350 (https://www.ncbi.nlm.nih.gov/pubmed/28846141)
  15. Latacz, G.; Lubelska, A.; Jastrzebska-Wiesek, M.; Partyka, A.; Sobilo, A.; Olejarz, A.; Kucwaj-Brysz, K.; Satala, G.; Bojarski, A. J.; Wesolowska, A.; Kiec-Kononowicz, K.; Handzlik, J. In the search for a lead structure among series of potent and selective hydantoin 5-HT7 R agents: The drug-likeness in vitro study. Chem. Biol. Drug Des 2017, 90, 1295-1306 (https://www.ncbi.nlm.nih.gov/pubmed/28886235)
  16. Markov, A. V.; Sen’kova, A. V.; Warszycki, D.; Salomatina, O. V.; Salakhutdinov, N. F.; Zenkova, M. A.; Logashenko, E. B. Soloxolone methyl inhibits influenza virus replication and reduces virus-induced lung inflammation. Sci. Rep. 2017, 7, 13968 (https://www.ncbi.nlm.nih.gov/pubmed/29070858)
  17. Kelemen, A. A.; Satala, G.; Bojarski, A. J.; Keseru, G. M. Spiro[pyrrolidine-3,3′-oxindoles] and Their Indoline Analogues as New 5-HT6 Receptor Chemotypes. Molecules 2017, 22, 2221 (https://www.ncbi.nlm.nih.gov/pubmed/29240714)
  18. Marciniec, K.; Latocha, M.; Kurczab, R.; Boryczka, S. Synthesis and anticancer activity evaluation of a quinoline-based 1,2,3-triazoles. Med. Chem. Res. 2017, 26, 2432-2442 (https://link.springer.com/article/10.1007/s00044-017-1943-5)
  19. Hogendorf, A.S.; Hogendorf, A.; Kurczab, R.; Satała, G.; Lenda, T.; Walczak, M.; Latacz, G.; Handzlik, J.; Kieć-Kononowicz, K.; Wierońska, J.M.; Woźniak, M.; Cieślik, P.; Bugno, R.; Staroń, J.; Bojarski, A.J. Low-basicity 5-HT7 Receptor Agonists Synthesized Using the van Leusen Multicomponent Protocol. Sci Rep. 2017 7, 1444 (https://www.ncbi.nlm.nih.gov/pubmed/28473721)
  20. Partyka, A.; Kurczab, R.; Canale, V.; Satała, G.; Marciniec, K.; Pasierb, A.; Jastrzębska-Więsek, M.; Pawłowski, M.; Wesołowska, A.; Bojarski, A.J.; Zajdel, P. 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. Bioorg Med Chem. 2017 25, 3638-3648 (https://www.ncbi.nlm.nih.gov/pubmed/28529043)
  21. Intagliata, S.; Modica, M. N.; Pittalà, V.; Salerno, L.; Siracusa, M. A.; Cagnotto, A.; Salmona, M.; Kurczab, R.; Romeo, G. 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. Bioorg. Med. Chem. 2017, 25, 1250–1259 (https://www.ncbi.nlm.nih.gov/pubmed/28063784)
  22. Warszycki, D.; Rueda, M.;, Mordalski, S.; Kristiansen, K.; Satała, G.; Rataj, K.; Chilmonczyk, Z.; Sylte, I.; Abagyan, R.; Bojarski, A. J. From Homology Models to a Set of Predictive Binding Pockets-a 5-HT1A Receptor Case Study. J Chem Inf Model. 2017 [Epub ahead of print] (https://www.ncbi.nlm.nih.gov/pubmed/28055203)
  23. Leśniak, D.; Jastrzębski, S.; Podlewska, S.; Czarnecki, W. M.; Bojarski, A. J. Quo vadis G protein-coupled receptor ligands? A tool for analysis of the emergence of new groups of compounds over time. Bioorg Med Chem Lett. 2017, 27, 626-631 (https://www.ncbi.nlm.nih.gov/pubmed/27993519).
  24. Hogendorf, A. S.; Hogendorf, A.; Kurczab, R.; Satała, G.; Lenda, T.; Walczak, M.; Latacz, G.; Handzlik, J.; Kieć-Kononowicz, K.; Wierońska, J.; Woźniak, M.; Cieślik, P.; Bugno, R.; Staroń, J.; Bojarski, A. J. Low-basicity 5-HT7 Receptor Agonists Synthesized Using the van Leusen Multicomponent Protocol Sci. Rep. 2017, 7, Article number: 1444 (http://www.nature.com/articles/s41598-017-00822-4).
  25. Staroń, J.; Mordalski, S.; Warszycki, D.; Satała, G.; Hogendorf, A. S.; Bojarski, A. J. Pyrano[2,3,4-cd]indole as a Scaffold for Selective Nonbasic 5-HT6R Ligands ACS Med. Chem. Lett. 2017, 8(4), pp 390–394