dr hab. Rafał Kurczab

dr hab. Rafał Kurczab

+48 12 6623301
pokój 326
Zakład Chemii Leków

Dokonania naukowe

  • Publikacje

Computer-aided insights into receptor-ligand interaction for novel 5-arylhydantoin derivatives as serotonin 5-HT<inf>7</inf> receptor agents with antidepressant activity

Autorzy: Kucwaj-Brysz, K., Kurczab, R., Jastrzębska-Więsek, M., Żesławska, E., Satała, G., Nitek, W., Partyka, A., Siwek, A., Jankowska, A., Wesołowska, A., Kieć-Kononowicz, K., Handzlik, J.

DOI: 10.1016/j.ejmech.2018.01.093
Date: 2018-01-01

ONIOM and FMO-EDA study of metabotropic glutamate receptor 1: Quantum insights into the allosteric binding site

Autorzy: Śliwa, P., Kurczab, R., Bojarski, A.J.

DOI: 10.1002/qua.25617
Date: 2018-01-01

7-Deacetyl-10-alkylthiocolchicine derivatives-new compounds with potent anticancer and fungicidal activity

Autorzy: Kurek, J., Kwaśniewska-Sip, P., Myszkowski, K., Cofta, G., Murias, M., Barczyński, P., Jasiewicz, B., Kurczab, R.

DOI: 10.1039/C8MD00352A
Date: 2018-01-01

Computer-aided studies for novel arylhydantoin 1,3,5-triazine derivatives as 5-HT<inf>6</inf> serotonin receptor ligands with antidepressive-like, anxiolytic and antiobesity action in vivo

Autorzy: Kurczab, R., Ali, W., Łazewska, D., Kotánska, M., Jastrzebska-Wiesek, M., Satała, G., Wiecek, M., Lubelska, A., Latacz, G., Partyka, A., Starek, M., Dabrowska, M., Wesołowska, A., Jacob, C., Kiéc-Kononowicz, K., Handzlik, J.

DOI: 10.3390/molecules23102529
Date: 2018-01-01

Structural determinants influencing halogen bonding: a case study on azinesulfonamide analogs of aripiprazole as 5-HT<inf>1A</inf>, 5-HT<inf>7</inf>, and D<inf>2</inf> receptor ligands

Autorzy: Marciniec, K., Kurczab, R., Książek, M., Bębenek, E., Chrobak, E., Satała, G., Bojarski, A.J., Kusz, J., Zajdel, P.

DOI: 10.1186/s13065-018-0422-5
Date: 2018-01-01

Novel 5-HT<inf>7</inf>R antagonists, arylsulfonamide derivatives of (aryloxy)propyl piperidines: Add-on effect to the antidepressant activity of SSRI and DRI, and pro-cognitive profile

Autorzy: Canale, V., Partyka, A., Kurczab, R., Krawczyk, M., Kos, T., Satała, G., Kubica, B., Jastrzębska-Więsek, M., Wesołowska, A., Bojarski, A.J., Popik, P., Zajdel, P.

DOI: 10.1016/j.bmc.2017.03.057
Date: 2017-01-01

The influence of the negative-positive ratio and screening database size on the performance of machine learning-based virtual screening

Autorzy: Kurczab, R., Bojarski, A.J.

DOI: 10.1371/journal.pone.0175410
Date: 2017-01-01

New N- and O-arylpiperazinylalkyl pyrimidines and 2-methylquinazolines derivatives as 5-HT<inf>7</inf>and 5-HT<inf>1A</inf>receptor ligands: Synthesis, structure-activity relationships, and molecular modeling studies

Autorzy: Intagliata, S., Modica, M.N., Pittalà, V., Salerno, L., Siracusa, M.A., Cagnotto, A., Salmona, M., Kurczab, R., Romeo, G.

DOI: 10.1016/j.bmc.2016.12.039
Date: 2017-01-01

The evaluation of QM/MM-driven molecular docking combined with MM/GBSA calculations as a halogen-bond scoring strategy

Autorzy: Kurczab, R.

DOI: 10.1107/S205252061700138X
Date: 2017-01-01

The Effect of Carboxamide/Sulfonamide Replacement in Arylpiperazinylalkyl Derivatives on Activity to Serotonin and Dopamine Receptors

Autorzy: Kowalski, P., Śliwa, P., Satała, G., Kurczab, R., Bartos, I., Zuchowicz, K.

DOI: 10.1002/ardp.201700090
Date: 2017-01-01

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