A Linear Combination of Pharmacophore Hypotheses as a New Tool in Search of New Active Compounds – An Application for 5-HT1A Receptor Ligands D Warszycki, S Mordalski, K Kristiansen, R Kafel, I Sylte, Z Chilmonczyk, ... PLoS One 8 (12), e84510, 2013 | 46 | 2013 |
Virtual screening-driven discovery of dual 5-HT6/5-HT2A receptor ligands with pro-cognitive properties J Staroń, R Kurczab, D Warszycki, G Satała, M Krawczyk, R Bugno, ... European Journal of Medicinal Chemistry 185, 111857, 2020 | 35 | 2020 |
Ligand-guided homology modelling of the GABAB2 subunit of the GABAB receptor T Freyd, D Warszycki, S Mordalski, AJ Bojarski, I Sylte, M Gabrielsen PLoS One 12 (3), e0173889, 2017 | 34 | 2017 |
Soloxolone methyl inhibits influenza virus replication and reduces virus-induced lung inflammation AV Markov, AV Sen’kova, D Warszycki, OV Salomatina, NF Salakhutdinov, ... Scientific Reports 7 (1), 13968, 2017 | 31 | 2017 |
From Homology Models to a Set of Predictive Binding Pockets–a 5-HT1A Receptor Case Study D Warszycki, M Rueda, S Mordalski, K Kristiansen, G Satała, K Rataj, ... Journal of chemical information and modeling 57 (2), 311-321, 2017 | 28 | 2017 |
Ligand-based virtual screening in a search for novel anti-HIV-1 chemotypes A Kurczyk, D Warszycki, R Musiol, R Kafel, AJ Bojarski, J Polanski Journal of chemical information and modeling 55 (10), 2168-2177, 2015 | 27 | 2015 |
Straightforward synthesis of 2, 4, 6-trisubstituted 1, 3, 5-triazine compounds targeting cysteine cathepsins K and S E Plebanek, F Chevrier, V Roy, T Garenne, F Lecaille, D Warszycki, ... European Journal of Medicinal Chemistry 121, 12-20, 2016 | 25 | 2016 |
Rational design in search for 5-phenylhydantoin selective 5-HT7R antagonists. Molecular modeling, synthesis and biological evaluation K Kucwaj-Brysz, D Warszycki, S Podlewska, J Witek, K Witek, ... European journal of medicinal chemistry 112, 258-269, 2016 | 24 | 2016 |
Pharmacoprint: A Combination of a Pharmacophore Fingerprint and Artificial Intelligence as a Tool for Computer-Aided Drug Design D Warszycki, Ł Struski, M Smieja, R Kafel, R Kurczab Journal of chemical information and modeling 61 (10), 5054-5065, 2021 | 22 | 2021 |
Tuning the activity of known drugs via the introduction of halogen atoms, a case study of SERT ligands–Fluoxetine and fluvoxamine J Staroń, W Pietruś, R Bugno, R Kurczab, G Satała, D Warszycki, T Lenda, ... European Journal of Medicinal Chemistry 220, 113533, 2021 | 20 | 2021 |
Average information content maximization—a new approach for fingerprint hybridization and reduction M Śmieja, D Warszycki PloS one 11 (1), e0146666, 2016 | 17 | 2016 |
Design, synthesis and biological evaluation of 2-substituted-6-[(4-substituted-1-piperidyl) methyl]-1H-benzimidazoles as inhibitors of ebola virus infection M Bessières, E Plebanek, P Chatterjee, P Shrivastava-Ranjan, M Flint, ... European Journal of Medicinal Chemistry 214, 113211, 2021 | 16 | 2021 |
Selective inhibition of human cathepsin S by 2, 4, 6-trisubstituted 1, 3, 5-triazine analogs Z Tber, M Wartenberg, JE Jacques, V Roy, F Lecaille, D Warszycki, ... Bioorganic & Medicinal Chemistry 26 (14), 4310-4319, 2018 | 16 | 2018 |
Sonication‐Assisted Synthesis of (E)‐2‐Methyl‐but‐2‐enyl Nucleoside Phosphonate Prodrugs M Bessieres, O Sari, V Roy, D Warszycki, AJ Bojarski, SP Nolan, ... ChemistrySelect 1 (12), 3108-3113, 2016 | 16 | 2016 |
Asymmetric Clustering Index in a Case Study of 5-HT1A Receptor Ligands M Śmieja, D Warszycki, J Tabor, AJ Bojarski PloS one 9 (7), e102069, 2014 | 15 | 2014 |
Rational design of 5-HT 6 R ligands using a bioisosteric strategy: synthesis, biological evaluation and molecular modelling J Staroń, D Warszycki, J Kalinowska-Tłuścik, G Satała, AJ Bojarski RSC advances 5 (33), 25806-25815, 2015 | 12 | 2015 |
The effect of the intramolecular C–H⋯ O interactions on the conformational preferences of bis-arylsulfones–5-HT 6 receptor antagonists and beyond J Kalinowska-Tłuścik, J Staroń, A Krawczuk, S Mordalski, D Warszycki, ... RSC advances 8 (33), 18672-18681, 2018 | 11 | 2018 |
UV-induced cyclization in myrcene isolated in rigid argon environment: FT-IR and DFT study A Kaczor, I Reva, D Warszycki, R Fausto Journal of Photochemistry and Photobiology A: Chemistry 222 (1), 1-9, 2011 | 11 | 2011 |
Improved HDAC inhibition, stronger cytotoxic effect and higher selectivity against leukemias and lymphomas of novel, tricyclic vorinostat analogues B Bieszczad, D Garbicz, M Świtalska, MK Dudek, D Warszycki, J Wietrzyk, ... Pharmaceuticals 14 (9), 851, 2021 | 10 | 2021 |
In Silico Methods for the Discovery of Orthosteric GABAB Receptor Compounds LM Evenseth, D Warszycki, AJ Bojarski, M Gabrielsen, I Sylte Molecules 24 (5), 935, 2019 | 10 | 2019 |