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Department of Medicinal Chemistry
Scientific profile
- Employees
Pracownicy zakładu
Ryszard Bugno, dr
+48 12 6623320
bugno@if-pan.krakow.pl
room 331Rafał Kurczab, dr hab.
+48 12 6623301kurczab@if-pan.krakow.plroom 326Sabina Podlewska, dr hab.
+48 12 6623301smusz@if-pan.krakow.plroom 326Grzegorz Satała, dr
+48 12 6623301satala@if-pan.krakow.plroom 326Katarzyna Szczepańska, dr
+48 12 6623301k.szczep@if-pan.krakow.plroom 326Adam Hogendorf, dr
+48 792287874ahogen@if-pan.krakow.plroom 331Katarzyna Kaczorowska, dr
+48 12 3343720k.kaczor@if-pan.krakow.plroom CEPHARES CF2.15Janusz Malarz, dr
+48 12 6623254malarzj@if-pan.krakow.plroom Radzikowskiego 176Wojciech Pietruś, dr
pietrus@if-pan.krakow.plDawid Warszycki, dr
+48 12 6623301warszyc@if-pan.krakow.plroom 326Aneta Kozioł
+48 12 6623319koziol@if-pan.krakow.plroom 330Krystyna Nędza
+48 12 6623319nedza@if-pan.krakow.plroom 330Achievements
- Publications
- Grants
Grant
Development of protocol for in silico design of compounds inhibit Ebola virus infection
Dawid Warszycki, PhD
Multiple conformational states in retrospective virtual screening - Homology models vs. crystal structures: Beta-2 adrenergic receptor case study
Mordalski, S., Witek, J., Smusz, S., Rataj, K., Bojarski, A.J.
DOI: 10.1186/s13321-015-0062-x
Rational design of 5-HT<inf>6</inf>R ligands using a bioisosteric strategy: Synthesis, biological evaluation and molecular modelling
Staroń, J., Warszycki, D., Kalinowska-Tłus̈cik, J., Satała, G., Bojarski, A.J.
DOI: 10.1039/c5ra00054h
Multi-step protocol for automatic evaluation of docking results based on machine learning methods - A case study of serotonin receptors 5-HT<inf>6</inf> and 5-HT<inf>7</inf>
Smusz, S., Mordalski, S., Witek, J., Rataj, K., Kafel, R., Bojarski, A.J.
DOI: 10.1021/ci500564b
N-(4-Arylpiperazinoalkyl)acetamide derivatives of 1,3- and 3,7-dimethyl-1H-purine-2,6(3H,7H)-diones and their 5-HT<inf>6</inf>, 5-HT<inf>7</inf>, and D<inf>2</inf>receptors affinity
Zmudzki, P., Satała, G., Chłoń-Rzepa, G., Bojarski, A.J., Popik, P., Zajdel, P.
DOI: 10.1515/hc-2014-0200
Fingerprint-based consensus virtual screening towards structurally new 5-HT<inf>6</inf>R ligands
Smusz, S., Kurczab, R., Satała, G., Bojarski, A.J.
DOI: 10.1016/j.bmcl.2015.03.049
Exploiting uncertainty measures in compounds activity prediction using support vector machines
Smusz, S., Czarnecki, W.M., Warszycki, D., Bojarski, A.J.
DOI: 10.1016/j.bmcl.2014.11.005
Imidazolidine-4-one derivatives in the search for novel chemosensitizers of Staphylococcus aureus MRSA: Synthesis, biological evaluation and molecular modeling studies
Matys, A., Podlewska, S., Witek, K., Witek, J., Bojarski, A.J., Schabikowski, J., Otrębska-Machaj, E., Latacz, G., Szymańska, E., Kieć-Kononowicz, K., Molnar, J., Amaral, L., Handzlik, J.
DOI: 10.1016/j.ejmech.2015.06.013
Functional selectivity and antidepressant activity of serotonin 1A receptor ligands
Chilmonczyk, Z., Bojarski, A.J., Pilc, A., Sylte, I.
DOI: 10.3390/ijms160818474
Extremely randomized machine learning methods for compound activity prediction
Czarnecki, W.M., Podlewska, S., Bojarski, A.J.
DOI: 10.3390/molecules201119679
Structure-activity relationships and molecular modeling studies of novel arylpiperazinylalkyl 2-benzoxazolones and 2-benzothiazolones as 5-HT<inf>7</inf> and 5-HT<inf>1A</inf> receptor ligands
Salerno, L., Pittalà, V., Modica, M.N., Siracusa, M.A., Intagliata, S., Cagnotto, A., Salmona, M., Kurczab, R., Bojarski, A.J., Romeo, G.
DOI: 10.1016/j.ejmech.2014.08.023