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Maryška M, Svobodová L, Dehaen W, Hrabinová M, Rumlová M, Soukup O, Kuchař M. Heterocyclic Cathinones as Inhibitors of Kynurenine Aminotransferase II-Design, Synthesis, and Evaluation. Pharmaceuticals (Basel). 2021 Dec 10;14(12):1291. doi: 10.3390/ph14121291. PMID: 34959692; PMCID: PMC8708382.

Maková B, Mik V, Lišková B, Gonzalez G, Vítek D, Medvedíková M, Monfort B, Ručilová V, Kadlecová A, Khirsariya P, Gándara Barreiro Z, Havlíček L, Zatloukal M, Soural M, Paruch K, D'Autréaux B, Hajdúch M, Strnad M, Voller J. Cytoprotective activities of kinetin purine isosteres. Bioorg Med Chem. 2021 Mar 1;33:115993. doi: 10.1016/j.bmc.2021.115993.

Němec V, Maier L, Berger BT, Chaikuad A, Drápela S, Souček K, Knapp S, Paruch K. Highly selective inhibitors of protein kinases CLK and HIPK with the furo[3,2-b]pyridine core. Eur J Med Chem. 2021 Apr 5;215:113299. doi: 10.1016/j.ejmech.2021.113299.

Jachak GR, Tharra PR, Sevelda P, Švenda J. Stereocontrolled Synthesis of Pseurotin A2. J Org Chem. 2021 Sep 3;86(17):11845-11861. doi: 10.1021/acs.joc.1c01152.

Králová J, Jurášek M, Mikšátková L, Marešová A, Fähnrich J, Cihlářová P, Drašar P, Bartůněk P, Král V. Influence of fluorophore and linker length on the localization and trafficking of fluorescent sterol probes. Sci Rep. 2020 Dec 16;10(1):22053. doi: 10.1038/s41598-020-78085-9.

Škuta C, Cortés-Ciriano I, Dehaen W, Kříž P, van Westen GJP, Tetko IV, Bender A, Svozil D. QSAR-derived affinity fingerprints (part 1): fingerprint construction and modeling performance for similarity searching, bioactivity classification and scaffold hopping. J Cheminform. 2020 May 29;12(1):39. doi: 10.1186/s13321-020-00443-6.

Cortés-Ciriano I, Škuta C, Bender A, Svozil D. QSAR-derived affinity fingerprints (part 2): modeling performance for potency prediction. J Cheminform. 2020 Jun 5;12(1):41. doi: 10.1186/s13321-020-00444-5.

Borková L, Frydrych I, Jakubcová N, Adámek R, Lišková B, Gurská S, Medvedíková M, Hajdúch M, Urban M. Synthesis and biological evaluation of triterpenoid thiazoles derived from betulonic acid, dihydrobetulonic acid, and ursonic acid. Eur J Med Chem. 2020 Jan 1;185:111806. doi: 10.1016/j.ejmech.2019.111806.

Řehulka J, Vychodilová K, Krejčí P, Gurská S, Hradil P, Hajdúch M, Džubák P, Hlaváč J. Fluorinated derivatives of 2-phenyl-3-hydroxy-4(1H)-quinolinone as tubulin polymerization inhibitors. Eur J Med Chem. 2020 Apr 15;192:112176. doi: 10.1016/j.ejmech.2020.112176.

Schadich E, Kryshchyshyn-Dylevych A, Holota S, Polishchuk P, Džubak P, Gurska S, Hajduch M, Lesyk R. Assessing different thiazolidine and thiazole based compounds as antileishmanial scaffolds. Bioorg Med Chem Lett. 2020 Dec 1;30(23):127616. doi: 10.1016/j.bmcl.2020.127616.

Džubák P, Gurská S, Bogdanová K, Uhríková D, Kanjaková N, Combet S, Klunda T, Kolář M, Hajdúch M, Poláková M. Antimicrobial and cytotoxic activity of (thio)alkyl hexopyranosides, nonionic glycolipid mimetics. Carbohydr Res. 2020 Feb;488:107905. doi: 10.1016/j.carres.2019.107905.

Stork C, Embruch G, Šícho M, de Bruyn Kops C, Chen Y, Svozil D, Kirchmair J. NERDD: a web portal providing access to in silico tools for drug discovery. Bioinformatics. 2020 Feb 15;36(4):1291-1292. doi: 10.1093/bioinformatics/btz695.

Jurásek B, Bartůněk V, Huber Š, Fagan P, Setnička V, Králík F, Dehaen W, Svozil D, Kuchař M. Can X-Ray Powder Diffraction Be a Suitable Forensic Method for Illicit Drug Identification? Front Chem. 2020 Jun 23;8:499. doi: 10.3389/fchem.2020.00499.

Voršilák M, Kolář M, Čmelo I, Svozil D. SYBA: Bayesian estimation of synthetic accessibility of organic compounds. J Cheminform. 2020 May 20;12(1):35. doi: 10.1186/s13321-020-00439-2.

Jurásek B, Čmelo I, Hájková K, Kofroňová E, Kuchař M. Counterfeit benzodiazepines-A phantom menace. Int J Clin Pract. 2020 Oct;74(10):e13575. doi: 10.1111/ijcp.13575.

Ntie-Kang F, Svozil D. An enumeration of natural products from microbial, marine and terrestrial sources. Physical Sciences Reviews. 2020;5(8). doi:10.1515/psr-2018-0121

Drápela S, Khirsariya P, van Weerden WM, Fedr R, Suchánková T, Búzová D, Červený J, Hampl A, Puhr M, Watson WR, Culig Z, Krejčí L, Paruch K, Souček K. The CHK1 inhibitor MU380 significantly increases the sensitivity of human docetaxel-resistant prostate cancer cells to gemcitabine through the induction of mitotic catastrophe. Mol Oncol. 2020 Oct;14(10):2487-2503. doi: 10.1002/1878-0261.12756.

Vojáčková P, Michalska L, Nečas M, Shcherbakov D, Böttger EC, Šponer J, Šponer JE, Švenda J. Stereocontrolled Synthesis of (-)-Bactobolin A. J Am Chem Soc. 2020 Apr 22;142(16):7306-7311. doi: 10.1021/jacs.0c01554.

Martín Moyano P, Němec V, Paruch K. Cdc-Like Kinases (CLKs): Biology, Chemical Probes, and Therapeutic Potential. Int J Mol Sci. 2020 Oct 13;21(20):7549. doi: 10.3390/ijms21207549.

Janoš J, Madea D, Mahvidi S, Mujawar T, Švenda J, Suchan J, Slavíček P, Klán P. Conformational Control of the Photodynamics of a Bilirubin Dipyrrinone Subunit: Femtosecond Spectroscopy Combined with Nonadiabatic Simulations. J Phys Chem A. 2020 Dec 17;124(50):10457-10471. doi: 10.1021/acs.jpca.0c08945.

Vašíček O, Fedr R, Skoroplyas S, Chalupa D, Sklenář M, Tharra PR, Švenda J, Kubala L. Natural pseurotins and analogs thereof inhibit activation of B-cells and differentiation into the plasma cells. Phytomedicine. 2020 Apr;69:153194. doi: 10.1016/j.phymed.2020.153194.

Madea D, Mahvidi S, Chalupa D, Mujawar T, Dvořák A, Muchová L, Janoš J, Slavíček P, Švenda J, Vítek L, Klán P. Wavelength-Dependent Photochemistry and Biological Relevance of a Bilirubin Dipyrrinone Subunit. J Org Chem. 2020 Oct 16;85(20):13015-13028. doi: 10.1021/acs.joc.0c01673.

Pelet A, Skopova V, Steuerwald U, Baresova V, Zarhrate M, Plaza JM, Hnizda A, Krijt M, Souckova O, Wibrand F, Andorsdóttir G, Joensen F, Sedlak D, Bleyer AJ, Kmoch S, Lyonnet S, Zikanova M. PAICS deficiency, a new defect of de novo purine synthesis resulting in multiple congenital anomalies and fatal outcome. Hum Mol Genet. 2019 Nov 15;28(22):3805-3814. doi: 10.1093/hmg/ddz237.

Pavlíčková V, Jurášek M, Rimpelová S, Záruba K, Sedlák D, Šimková M, Kodr D, Staňková E, Fähnrich J, Rottnerová Z, Bartůněk P, Lapčík O, Drašar P, Ruml T. Oxime-based 19-nortestosterone-pheophorbide a conjugate: bimodal controlled release concept for PDT. J Mater Chem B. 2019 Sep 18;7(36):5465-5477. doi: 10.1039/c9tb01301f.

Mrkvová Z, Uldrijan S, Pombinho A, Bartůněk P, Slaninová I. Benzimidazoles Downregulate Mdm2 and MdmX and Activate p53 in MdmX Overexpressing Tumor Cells. Molecules. 2019 Jun 7;24(11):2152. doi: 10.3390/molecules24112152.

Brennecke P, Rasina D, Aubi O, Herzog K, Landskron J, Cautain B, Vicente F, Quintana J, Mestres J, Stechmann B, Ellinger B, Brea J, Kolanowski JL, Pilarski R, Orzaez M, Pineda-Lucena A, Laraia L, Nami F, Zielenkiewicz P, Paruch K, Hansen E, von Kries JP, Neuenschwander M, Specker E, Bartunek P, Simova S, Leśnikowski Z, Krauss S, Lehtiö L, Bilitewski U, Brönstrup M, Taskén K, Jirgensons A, Lickert H, Clausen MH, Andersen JH, Vicent MJ, Genilloud O, Martinez A, Nazaré M, Fecke W, Gribbon P. EU-OPENSCREEN: A Novel Collaborative Approach to Facilitate Chemical Biology. SLAS Discov. 2019 Mar;24(3):398-413. doi: 10.1177/2472555218816276.

Temirgaziyev BS, Kučáková K, Baizhigit YA, Jurášek M, Džubák P, Hajdúch M, Dolenský B, Drašar PB, Tuleuov BI, Adekenov SM. Bioavailability and structural study of 20-hydroxyecdysone complexes with cyclodextrins. Steroids. 2019 Jul;147:37-41. doi: 10.1016/j.steroids.2018.11.007.

Bříza T, Králová J, Rimpelová S, Havlík M, Kaplánek R, Kejík Z, Martásek P, Mikula I, Džubák P, Hajdúch M, Ruml T, Král V. Pentamethinium salts as ligands for cancer: Sulfated polysaccharide co-receptors as possible therapeutic target. Bioorg Chem. 2019 Feb;82:74-85. doi: 10.1016/j.bioorg.2018.02.011.

Nowikow C, Fuerst R, Kauderer M, Dank C, Schmid W, Hajduch M, Rehulka J, Gurska S, Mokshyna O, Polishchuk P, Zupkó I, Dzubak P, Rinner U. Synthesis and biological evaluation of cis-restrained carbocyclic combretastatin A-4 analogs: Influence of the ring size and saturation on cytotoxic properties. Bioorg Med Chem. 2019 Oct 1;27(19):115032. doi: 10.1016/j.bmc.2019.07.048.

Polishchuk P, Kutlushina A, Bashirova D, Mokshyna O, Madzhidov T. Virtual Screening Using Pharmacophore Models Retrieved from Molecular Dynamic Simulations. Int J Mol Sci. 2019 Nov 20;20(23):5834. doi: 10.3390/ijms20235834.

de Bruyn Kops C, Stork C, Šícho M, Kochev N, Svozil D, Jeliazkova N, Kirchmair J. GLORY: Generator of the Structures of Likely Cytochrome P450 Metabolites Based on Predicted Sites of Metabolism. Front Chem. 2019 Jun 12;7:402. doi: 10.3389/fchem.2019.00402.

Šícho M, Stork C, Mazzolari A, de Bruyn Kops C, Pedretti A, Testa B, Vistoli G, Svozil D, Kirchmair J. FAME 3: Predicting the Sites of Metabolism in Synthetic Compounds and Natural Products for Phase 1 and Phase 2 Metabolic Enzymes. J Chem Inf Model. 2019 Aug 26;59(8):3400-3412. doi: 10.1021/acs.jcim.9b00376.

Boudny M, Zemanova J, Khirsariya P, Borsky M, Verner J, Cerna J, Oltova A, Seda V, Mraz M, Jaros J, Jaskova Z, Spunarova M, Brychtova Y, Soucek K, Drapela S, Kasparkova M, Mayer J, Paruch K, Trbusek M. Novel CHK1 inhibitor MU380 exhibits significant single-agent activity in TP53-mutated chronic lymphocytic leukemia cells. Haematologica. 2019 Dec;104(12):2443-2455. doi: 10.3324/haematol.2018.203430.

Chirackal Manavalan AP, Pilarova K, Kluge M, Bartholomeeusen K, Rajecky M, Oppelt J, Khirsariya P, Paruch K, Krejci L, Friedel CC, Blazek D. CDK12 controls G1/S progression by regulating RNAPII processivity at core DNA replication genes. EMBO Rep. 2019 Sep;20(9):e47592. doi: 10.15252/embr.201847592.

Němec V, Hylsová M, Maier L, Flegel J, Sievers S, Ziegler S, Schröder M, Berger BT, Chaikuad A, Valčíková B, Uldrijan S, Drápela S, Souček K, Waldmann H, Knapp S, Paruch K. Furo[3,2-b]pyridine: A Privileged Scaffold for Highly Selective Kinase Inhibitors and Effective Modulators of the Hedgehog Pathway. Angew Chem Int Ed Engl. 2019 Jan 21;58(4):1062-1066. doi: 10.1002/anie.201810312.

Králová J, Jurášek M, Krčová L, Dolenský B, Novotný I, Dušek M, Rottnerová Z, Kahle M, Drašar P, Bartůněk P, Král V. Heterocyclic sterol probes for live monitoring of sterol trafficking and lysosomal storage disorders. Sci Rep. 2018 Sep 26;8(1):14428. doi: 10.1038/s41598-018-32776-6.

Oltova J, Jindrich J, Skuta C, Svoboda O, Machonova O, Bartunek P. Zebrabase: An Intuitive Tracking Solution for Aquatic Model Organisms. Zebrafish. 2018 Dec;15(6):642-647. doi: 10.1089/zeb.2018.1609.

Jurášek M, Černohorská M, Řehulka J, Spiwok V, Sulimenko T, Dráberová E, Darmostuk M, Gurská S, Frydrych I, Buriánová R, Ruml T, Hajdúch M, Bartůněk P, Dráber P, Džubák P, Drašar PB, Sedlák D. Estradiol dimer inhibits tubulin polymerization and microtubule dynamics. J Steroid Biochem Mol Biol. 2018 Oct;183:68-79. doi: 10.1016/j.jsbmb.2018.05.008.

Brustikova K, Sedlak D, Kubikova J, Skuta C, Solcova K, Malik R, Bartunek P, Svoboda P. Cell-Based Reporter System for High-Throughput Screening of MicroRNA Pathway Inhibitors and Its Limitations. Front Genet. 2018 Feb 27;9:45. doi: 10.3389/fgene.2018.00045.

Rárová L, Sedlák D, Oklestkova J, Steigerová J, Liebl J, Zahler S, Bartůněk P, Kolář Z, Kohout L, Kvasnica M, Strnad M. The novel brassinosteroid analog BR4848 inhibits angiogenesis in human endothelial cells and induces apoptosis in human cancer cells in vitro. J Steroid Biochem Mol Biol. 2018 Apr;178:263-271. doi: 10.1016/j.jsbmb.2018.01.005.

Horký P, Voráčová M, Konečná K, Sedlák D, Bartůněk P, Vacek J, Kuneš J, Pour M. Nontoxic combretafuranone analogues with high in vitro antibacterial activity. Eur J Med Chem. 2018 Jan 1;143:843-853. doi: 10.1016/j.ejmech.2017.11.078.

Kutlushina A, Khakimova A, Madzhidov T, Polishchuk P. Ligand-Based Pharmacophore Modeling Using Novel 3D Pharmacophore Signatures. Molecules. 2018 Nov 27;23(12):3094. doi: 10.3390/molecules23123094.

Pokorny J, Krajcovicova S, Hajduch M, Holoubek M, Gurska S, Dzubak P, Volna T, Popa I, Urban M. Triterpenic azines, a new class of compounds with selective cytotoxicity to leukemia cells CCRF-CEM. Future Med Chem. 2018 Mar 1;10(5):483-491. doi: 10.4155/fmc-2017-0171

Šesták S, Bella M, Klunda T, Gurská S, Džubák P, Wöls F, Wilson IBH, Sladek V, Hajdúch M, Poláková M, Kóňa J. N-Benzyl Substitution of Polyhydroxypyrrolidines: The Way to Selective Inhibitors of Golgi α-Mannosidase II. ChemMedChem. 2018 Feb 20;13(4):373-383. doi: 10.1002/cmdc.201700607

Krajcovicova S, Stankova J, Dzubak P, Hajduch M, Soural M, Urban M. A Synthetic Approach for the Rapid Preparation of BODIPY Conjugates and their use in Imaging of Cellular Drug Uptake and Distribution. Chemistry. 2018 Apr 3;24(19):4957-4966. doi: 10.1002/chem.201706093.

Havel S, Khirsariya P, Akavaram N, Paruch K, Carbain B. Preparation of 3,4-Substituted-5-Aminopyrazoles and 4-Substituted-2-Aminothiazoles. J Org Chem. 2018 Dec 21;83(24):15380-15405. doi: 10.1021/acs.joc.8b02655.

Vojáčková P, Chalupa D, Prieboj J, Nečas M, Švenda J. Enantioselective Conjugate Additions of 2-Alkoxycarbonyl-3(2 H)-furanones. Org Lett. 2018 Nov 16;20(22):7085-7089. doi: 10.1021/acs.orglett.8b03039

Kaushik S, Marques SM, Khirsariya P, Paruch K, Libichova L, Brezovsky J, Prokop Z, Chaloupkova R, Damborsky J. Impact of the access tunnel engineering on catalysis is strictly ligand-specific. FEBS J. 2018 Apr;285(8):1456-1476. doi: 10.1111/febs.14418.

the November 2017 issue of Chemické listy dedicated to computational drug design from CZ-OPENSCREEN authors.

Grekov I, Pombinho AR, Kobets T, Bartůněk P, Lipoldová M. Calcium Ionophore, Calcimycin, Kills Leishmania Promastigotes by Activating Parasite Nitric Oxide Synthase. Biomed Res Int. 2017;2017:1309485. doi: 10.1155/2017/1309485.

Skuta C, Popr M, Muller T, Jindrich J, Kahle M, Sedlak D, Svozil D, Bartunek P. Probes &Drugs portal: an interactive, open data resource for chemical biology. Nat Methods. 2017 Jul 28;14(8):759-760. doi: 10.1038/nmeth.4365.

Seydlová G, Pohl R, Zborníková E, Ehn M, Šimák O, Panova N, Kolář M, Bogdanová K, Večeřová R, Fišer R, Šanderová H, Vítovská D, Sudzinová P, Pospíšil J, Benada O, Křížek T, Sedlák D, Bartůněk P, Krásný L, Rejman D. Lipophosphonoxins II: Design, Synthesis, and Properties of Novel Broad Spectrum Antibacterial Agents. J Med Chem. 2017 Jul 27;60(14):6098-6118. doi: 10.1021/acs.jmedchem.7b00355.

Kralova J, Kolar M, Kahle M, Truksa J, Lettlova S, Balusikova K, Bartunek P. Glycol porphyrin derivatives and temoporfin elicit resistance to photodynamic therapy by different mechanisms. Sci Rep. 2017 Mar 15;7:44497. doi: 10.1038/srep44497.

Jurášek M, Džubák P, Rimpelová S, Sedlák D, Konečný P, Frydrych I, Gurská S, Hajdúch M, Bogdanová K, Kolář M, Müller T, Kmoníčková E, Ruml T, Harmatha J, Drašar PB. Trilobolide-steroid hybrids: Synthesis, cytotoxic and antimycobacterial activity. Steroids. 2017 Jan;117:97-104. doi: 10.1016/j.steroids.2016.08.011.

Agrawal K, Das V, Otmar M, Krečmerová M, Džubák P, Hajdúch M. Cell-based DNA demethylation detection system for screening of epigenetic drugs in 2D, 3D, and xenograft models. Cytometry A. 2017 Feb;91(2):133-143. doi: 10.1002/cyto.a.23004.

Voller J, Béres T, Zatloukal M, Kaminski PA, Niemann P, Doležal K, Džubák P, Hajdúch M, Strnad M. The natural cytokinin 2OH3MeOBAR induces cell death by a mechanism that is different from that of the “classical” cytokinin ribosides. Phytochemistry. 2017 Apr;136:156-164. doi: 10.1016/j.phytochem.2017.01.004.

Voršilák M, Svozil D. Nonpher: computational method for design of hard-to-synthesize structures. J Cheminform. 2017 Mar 20;9(1):20. doi: 10.1186/s13321-017-0206-2.

Šícho M, de Bruyn Kops C, Stork C, Svozil D, Kirchmair J. FAME 2: Simple and Effective Machine Learning Model of Cytochrome P450 Regioselectivity. J Chem Inf Model. 2017 Aug 28;57(8):1832-1846. doi: 10.1021/acs.jcim.7b00250.

Paculová H, Kramara J, Šimečková Š, Fedr R, Souček K, Hylse O, Paruch K, Svoboda M, Mistrík M, Kohoutek J. BRCA1 or CDK12 loss sensitizes cells to CHK1 inhibitors. Tumour Biol. 2017 Oct;39(10):1010428317727479. doi: 10.1177/1010428317727479.

Herůdková J, Paruch K, Khirsariya P, Souček K, Krkoška M, Vondálová Blanářová O, Sova P, Kozubík A, Hyršlová Vaculová A. Chk1 Inhibitor SCH900776 Effectively Potentiates the Cytotoxic Effects of Platinum-Based Chemotherapeutic Drugs in Human Colon Cancer Cells. Neoplasia. 2017 Oct;19(10):830-841. doi: 10.1016/j.neo.2017.08.002.

Samadder P, Suchánková T, Hylse O, Khirsariya P, Nikulenkov F, Drápela S, Straková N, Vaňhara P, Vašíčková K, Kolářová H, Binó L, Bittová M, Ovesná P, Kollár P, Fedr R, Ešner M, Jaroš J, Hampl A, Krejčí L, Paruch K, Souček K. Synthesis and Profiling of a Novel Potent Selective Inhibitor of CHK1 Kinase Possessing Unusual N-trifluoromethylpyrazole Pharmacophore Resistant to Metabolic N-dealkylation. Mol Cancer Ther. 2017 Sep;16(9):1831-1842. doi: 10.1158/1535-7163.MCT-17-0018.

Maier L, Khirsariya P, Hylse O, Adla SK, Černová L, Poljak M, Krajčovičová S, Weis E, Drápela S, Souček K, Paruch K. Diastereoselective Flexible Synthesis of Carbocyclic C-Nucleosides. J Org Chem. 2017 Apr 7;82(7):3382-3402. doi: 10.1021/acs.joc.6b02594.

Nekardová M, Vymětalová L, Khirsariya P, Kováčová S, Hylsová M, Jorda R, Kryštof V, Fanfrlík J, Hobza P, Paruch K. Structural Basis of the Interaction of Cyclin-Dependent Kinase 2 with Roscovitine and Its Analogues Having Bioisosteric Central Heterocycles. Chemphyschem. 2017 Apr 5;18(7):785-795. doi: 10.1002/cphc.201601319.

Hylsová M, Carbain B, Fanfrlík J, Musilová L, Haldar S, Köprülüoğlu C, Ajani H, Brahmkshatriya P S, Jorda R, Kryštof V, Hobza P, Echalier A, Paruch K, Lepšík M. Explicit Treatment of Active-site Waters Enhances Quantum Mechanical/Implicit Solvent Scoring: Inhibition of CDK2 by new Pyrazolo[1.5-a]Pyrimidines. Eur J Med Chem. 2017 Jan 27;126:1118-1128. doi: 10.1016/j.ejmech.2016.12.023

Hylse, O.; Maier, L.; Kučera, R.; Perečko, T.; Svobodová, A.; Kubala, L.; Paruch, K.; Švenda, J.* A concise synthesis of forskolin. Angew. Chem. Int. Ed. 2017 Oct 2;56(41):12586-12589. doi: 10.1002/anie.201706809

Brezaniova I, Hruby M, Kralova J, Kral V, Cernochova Z, Cernoch P, Slouf M, Kredatusova J, Stepanek P. Temoporfin-loaded 1-tetradecanol-based thermoresponsive solid lipid nanoparticles for photodynamic therapy. J Control Release. 2016 Nov 10;241:34-44. doi: 10.1016/j.jconrel.2016.09.009.

Biedermann D, Buchta M, Holečková V, Sedlák D, Valentová K, Cvačka J, Bednárová L, Křenková A, Kuzma M, Škuta C, Peikerová Ž, Bartůněk P, Křen V. Silychristin: Skeletal Alterations and Biological Activities. J Nat Prod. 2016 Dec 23;79(12):3086-3092. doi: 10.1021/acs.jnatprod.6b00750.

Felker A, Nieuwenhuize S, Dolbois A, Blazkova K, Hess C, Low LW, Burger S, Samson N, Carney TJ, Bartunek P, Nevado C, Mosimann C. In Vivo Performance and Properties of Tamoxifen Metabolites for CreERT2 Control. PLoS One. 2016 Apr 14;11(4):e0152989. doi: 10.1371/journal.pone.0152989.

Rárová L, Steigerová J, Kvasnica M, Bartůněk P, Křížová K, Chodounská H, Kolář Z, Sedlák D, Oklestkova J, Strnad M. Structure activity relationship studies on cytotoxicity and the effects on steroid receptors of AB-functionalized cholestanes. J Steroid Biochem Mol Biol. 2016 May;159:154-69. doi: 10.1016/j.jsbmb.2016.03.017.

Hezova R, Kovarikova A, Srovnal J, Zemanova M, Harustiak T, Ehrmann J, Hajduch M, Sachlova M, Svoboda M, Slaby O. MiR-205 functions as a tumor suppressor in adenocarcinoma and an oncogene in squamous cell carcinoma of esophagus. Tumour Biol. 2016 Jun;37(6):8007-18. doi: 10.1007/s13277-015-4656-8.

Sulovska L, Holub D, Zidova Z, Divoka M, Hajduch M, Mihal V, Vrbkova J, Horvathova M, Pospisilova D. Characterization of iron metabolism and erythropoiesis in erythrocyte membrane defects and thalassemia traits. Biomed Pap Med Fac Univ Palacky Olomouc Czech Repub. 2016 Jun;160(2):231-7. doi: 10.5507/bp.2015.054.

Das V, Fürst T, Gurská S, Džubák P, Hajdúch M. Reproducibility of Uniform Spheroid Formation in 384-Well Plates: The Effect of Medium Evaporation. J Biomol Screen. 2016 Oct;21(9):923-30. doi: 10.1177/1087057116651867.

Schadich E, Hlaváč J, Volná T, Varanasi L, Hajdúch M, Džubák P. Effects of Ginger Phenylpropanoids and Quercetin on Nrf2-ARE Pathway in Human BJ Fibroblasts and HaCaT Keratinocytes. Biomed Res Int. 2016;2016:2173275. doi: 10.1155/2016/2173275.

Zemanova J, Hylse O, Collakova J, Vesely P, Oltova A, Borsky M, Zaprazna K, Kasparkova M, Janovska P, Verner J, Kohoutek J, Dzimkova M, Bryja V, Jaskova Z, Brychtova Y, Paruch K, Trbusek M. Chk1 inhibition significantly potentiates activity of nucleoside analogs in TP53-mutated B-lymphoid cells. Oncotarget. 2016 Sep 20;7(38):62091-62106. doi: 10.18632/oncotarget.11388.

Hill N, Paruch K, Švenda J. Late-stage Annulative Convergency in Natural Product Synthesis. Tetrahedron. 2016 Jun 16;72(24):3345-68. doi: 10.1016/j.tet.2016.04.004

Bříza T, Králová J, Dolenský B, Rimpelová S, Kejík Z, Ruml T, Hajdúch M, Džubák P, Mikula I, Martásek P, Poučková P, Král V. Striking antitumor activity of a methinium system with incorporated quinoxaline unit obtained by spontaneous cyclization. Chembiochem. 2015 Mar 2;16(4):555-8. doi: 10.1002/cbic.201402662.

Kaplánek R, Jakubek M, Rak J, Kejík Z, Havlík M, Dolenský B, Frydrych I, Hajdúch M, Kolář M, Bogdanová K, Králová J, Džubák P, Král V. Caffeine-hydrazones as anticancer agents with pronounced selectivity toward T-lymphoblastic leukaemia cells. Bioorg Chem. 2015 Jun;60:19-29. doi: 10.1016/j.bioorg.2015.03.003.

Kaplánek R, Havlík M, Dolenský B, Rak J, Džubák P, Konečný P, Hajdúch M, Králová J, Král V. Synthesis and biological activity evaluation of hydrazone derivatives based on a Tröger's base skeleton. Bioorg Med Chem. 2015 Apr 1;23(7):1651-9. doi: 10.1016/j.bmc.2015.01.029.

Liegertová M, Pergner J, Kozmiková I, Fabian P, Pombinho AR, Strnad H, Pačes J, Vlček Č, Bartůněk P, Kozmik Z. Cubozoan genome illuminates functional diversification of opsins and photoreceptor evolution. Sci Rep. 2015 Jul 8;5:11885. doi: 10.1038/srep11885. Erratum in: Sci Rep. 2015;5:14396.

Čech P, Hoksza D, Svozil D. MultiSETTER: web server for multiple RNA structure comparison. BMC Bioinformatics. 2015 Aug 12;16:253. doi: 10.1186/s12859-015-0696-8

Hoksza D, Svozil D. Multiple 3D RNA Structure Superposition Using Neighbor Joining. IEEE/ACM Trans Comput Biol Bioinform. 2015 May-Jun;12(3):520-30. doi: 10.1109/TCBB.2014.2351810.

Amaro M, Brezovský J, Kováčová S, Sýkora J, Bednář D, Němec V, Lišková V, Kurumbang NP, Beerens K, Chaloupková R, Paruch K, Hof M, Damborský J. Site-specific analysis of protein hydration based on unnatural amino acid fluorescence. J Am Chem Soc. 2015 Apr 22;137(15):4988-92. doi: 10.1021/jacs.5b01681.

Kováčová S, Adla SK, Maier L, Babiak M, Mizushina Y, Paruch K. Synthesis of carbocyclic analogs of dehydroaltenusin: Identification of a stable inhibitor of calf DNA polymerase α. Tetrahedron. 2015 Oct 7;71(40):7575-82. doi: 10.1016/j.tet.2015.08.005

Skuta C, Bartůněk P, Svozil D. InCHlib - interactive cluster heatmap for web applications. J Cheminform. 2014 Sep 17;6(1):44. doi: 10.1186/s13321-014-0044-4.

Hoksza D, Skoda P, Voršilák M, Svozil D. Molpher: a software framework for systematic chemical space exploration. J Cheminform. 2014 Mar 21;6(1):7. doi: 10.1186/1758-2946-6-7.

Tumova L, Pombinho AR, Vojtechova M, Stancikova J, Gradl D, Krausova M, Sloncova E, Horazna M, Kriz V, Machonova O, Jindrich J, Zdrahal Z, Bartunek P, Korinek V. Monensin inhibits canonical Wnt signaling in human colorectal cancer cells and suppresses tumor growth in multiple intestinal neoplasia mice. Mol Cancer Ther. 2014 Apr;13(4):812-22. doi: 10.1158/1535-7163.

Podolska K, Sedlak D, Bartunek P, Svoboda P. Fluorescence-based high-throughput screening of dicer cleavage activity. J Biomol Screen. 2014 Mar;19(3):417-26. doi: 10.1177/1087057113497400.

Nauš P, Caletková O, Konečný P, Džubák P, Bogdanová K, Kolář M, Vrbková J, Slavětínská L, Tloušt'ová E, Perlíková P, Hajdúch M, Hocek M. Synthesis, cytostatic, antimicrobial, and anti-HCV activity of 6-substituted 7-(het)aryl-7-deazapurine ribonucleosides. J Med Chem. 2014 Feb 13;57(3):1097-110. doi: 10.1021/jm4018948.

Snášel J, Nauš P, Dostál J, Hnízda A, Fanfrlík J, Brynda J, Bourderioux A, Dušek M, Dvořáková H, Stolaříková J, Zábranská H, Pohl R, Konečný P, Džubák P, Votruba I, Hajdúch M, Rezáčová P, Veverka V, Hocek M, Pichová I. Structural basis for inhibition of mycobacterial and human adenosine kinase by 7-substituted 7-(Het)aryl-7-deazaadenine ribonucleosides. J Med Chem. 2014 Oct 23;57(20):8268-79. doi: 10.1021/jm500497v.

Mattová J, Poučková P, Kučka J, Skodová M, Vetrík M, Stěpánek P, Urbánek P, Petřík M, Nový Z, Hrubý M. Chelating polymeric beads as potential therapeutics for Wilson's disease. Eur J Pharm Sci. 2014 Oct 1;62:1-7. doi: 10.1016/j.ejps.2014.05.002.

Das V, Sim DA, Miller JH. Effect of taxoid and nontaxoid site microtubule-stabilizing agents on axonal transport of mitochondria in untransfected and ECFP-htau40-transfected rat cortical neurons in culture. J Neurosci Res. 2014 Sep;92(9):1155-66. doi: 10.1002/jnr.23394.

Messina I, Popa I, Maier V, Soural M. Solid-phase synthesis of 5-noranagrelide derivatives. ACS Comb Sci. 2014 Jan 13;16(1):33-8. doi: 10.1021/co4001315.

McMaster C, Fülöpová V, Popa I, Grepl M, Soural M. Solid-phase synthesis of anagrelide sulfonyl analogues. ACS Comb Sci. 2014 May 12;16(5):221-4. doi: 10.1021/co400119c.

Cankařová N, La Venia A, Krchňák V. Polymer-supported stereoselective synthesis of tetrahydrobenzopyrazino-thiadiazinone dioxides via N-sulfonyl iminiums. ACS Comb Sci. 2014 Jun 9;16(6):293-302. doi: 10.1021/co5000163.

Motyka K, Stýskala J, Cankař P, Hlaváč J. Fluorescence properties of selected benzo[c]phenanthridines. J Fluoresc. 2014 Jul;24(4):1177-82. doi: 10.1007/s10895-014-1398-8.

Kadrić J, Motyka K, Džubák P, Hajdúch M, Soural M. Synthesis, cytotoxic activity, and fluorescence properties of a set of novel 3-hydroxyquinolin-4(1H)-ones. Tetrahedron Lett. 2014 Jun 25;55(26):3592-5. doi: 10.1016/j.tetlet.2014.04.121

Ventosa-Andrés P, Hradilová L, Krchňák V. Privileged structures as peptide backbone constraints: polymer-supported stereoselective synthesis of benzimidazolinopiperazinone peptides. ACS Comb Sci. 2014 Jul 14;16(7):359-66. doi: 10.1021/co500023k.

Schneider B, Cerný J, Svozil D, Cech P, Gelly JC, de Brevern AG. Bioinformatic analysis of the protein/DNA interface. Nucleic Acids Res. 2014 Mar;42(5):3381-94. doi: 10.1093/nar/gkt1273.

Labroli MA, Dwyer MP, Popovici-Muller J, Pu Q, Richard J, Rosner K, Paruch K, Guzi TJ. Syntheses of 5´-amino-2´,5´-dideoxy-2´,2´-difluorocytidine derivatives as novel anticancer nucleoside analogs. Tetrahedron Lett. 2014 Jan 15;55(3):598-602. doi: 10.1016/j.tetlet.2013.11.018

Maier L, Hylse O, Necas M, Trbusek M, Ytre-Arne M, Dalhus B, Bjoras M, Paruch K. New carbocyclic nucleosides: Synthesis of carbocyclic pseudoisocytidine and its analogs. Tetrahedron Lett. 2014 Jul 2;55(27):3713-6. doi: 10.1016/j.tetlet.2014.05.030

Beranova L, Pombinho AR, Spegarova J, Koc M, Klanova M, Molinsky J, Klener P, Bartunek P, Andera L. The plant alkaloid and anti-leukemia drug homoharringtonine sensitizes resistant human colorectal carcinoma cells to TRAIL-induced apoptosis via multiple mechanisms. Apoptosis. 2013 Jun;18(6):739-50. doi: 10.1007/s10495-013-0823-9.

Sedlák D, Eignerová B, Dračínský M, Janoušek Z, Bartůněk P, Kotora M. Synthesis and evaluation of 17 alpha-(carboranylalkyl)estradiols as ligands for estrogen receptors alpha and beta. J Organometal Chem. 2013 Dec 1; 747:178-83. doi: 10.1016/j.jorganchem.2013.06.013

Perlíková P, Konečný P, Nauš P, Snášel J, Votruba I, Džubák P, Pichová I, Hajdúch M, Hocek M. 6-Alkyl-, 6-aryl- or 6-hetaryl-7-deazapurine ribonucleosides as inhibitors of human or MTB adenosine kinase and potential antimycobacterial agents. Med.Chem.Commun. 2013;4:1497-1500. doi: 10.1039/C3MD00232B

Hrabakova R, Kollareddy M, Tyleckova J, Halada P, Hajduch M, Gadher SJ, Kovarova H. Cancer cell resistance to aurora kinase inhibitors: identification of novel targets for cancer therapy. J Proteome Res. 2013 Jan 4;12(1):455-69. doi: 10.1021/pr300819m.

Jurášek M, Džubák P, Sedlák D, Dvořáková H, Hajdúch M, Bartůněk P, Drašar P. Preparation, preliminary screening of new types of steroid conjugates and their activities on steroid receptors. Steroids. 2013 Mar;78(3):356-61. doi: 10.1016/j.steroids.2012.11.016.

Čech P, Kukal J, Černý J, Schneider B, Svozil D. Automatic workflow for the classification of local DNA conformations. BMC Bioinformatics. 2013 Jun 25;14:205. doi: 10.1186/1471-2105-14-205.

Amaro M, Brezovský J, Kováčová S, Maier L, Chaloupková R, Sýkora J, Paruch K, Damborský J, Hof M. Are time-dependent fluorescence shifts at the tunnel mouth of haloalkane dehalogenase enzymes dependent on the choice of the chromophore? J Phys Chem B. 2013 Jul 3;117(26):7898-906. doi: 10.1021/jp403708c. Epub 2013 Jun 20.

Brahmkshatriya PS, Dobeš P, Fanfrlik J, Rezáç J, Paruch K, Bronowska A, Lepšík M, Hobza P. Quantum mechanical scoring: structural and energetic insights into cyclin-dependent kinase 2 inhibition by pyrazolo[1,5-a]pyrimidines. Curr Comput Aided Drug Des. 2013 Mar;9(1):118-29. doi: 10.2174/1573409911309010011.

Dwyer MP, Keertikar K, Paruch K, Alvarez C, Labroli M, Poker C, Fischmann TO, Mayer-Ezell R, Bond R, Wang Y, Azevedo R, Guzi TJ. Discovery of pyrazolo[1,5-a]pyrimidine-based Pim inhibitors: a template-based approach. Bioorg Med Chem Lett. 2013 Nov 15;23(22):6178-82. doi: 10.1016/j.bmcl.2013.08.110.

Rárová L, Zahler S, Liebl J, Kryštof V, Sedlák D, Bartůněk P, Kohout L, Strnad M. Brassinosteroids inhibit in vitro angiogenesis in human endothelial cells. Steroids. 2012 Nov;77(13):1502-9. doi: 10.1016/j.steroids.2012.08.011.

Alquicer G, Sedlák D, Byun Y, Pavlícek J, Stathis M, Rojas C, Slusher B, Pomper MG, Bartunek P, Barinka C. Development of a high-throughput fluorescence polarization assay to identify novel ligands of glutamate carboxypeptidase II. J Biomol Screen. 2012 Sep;17(8):1030-40. doi: 10.1177/1087057112451924.

Hessler F, Císařová I, Sedlák D, Bartůněk P, Kotora M. Synthesis of ferrocenestrone: the first metallocene based steroid analogue. Chemistry. 2012 Apr 27;18(18):5515-8. doi: 10.1002/chem.201200687.

Kollareddy M, Zheleva D, Dzubak P, Brahmkshatriya PS, Lepsik M, Hajduch M. Aurora kinase inhibitors: progress towards the clinic. Invest New Drugs. 2012 Dec;30(6):2411-32. doi: 10.1007/s10637-012-9798-6.

Tyleckova J, Hrabakova R, Mairychova K, Halada P, Radova L, Dzubak P, Hajduch M, Gadher SJ, Kovarova H. Cancer cell response to anthracyclines effects: mysteries of the hidden proteins associated with these drugs. Int J Mol Sci. 2012 Nov 22;13(12):15536-64. doi: 10.3390/ijms131215536.

Caletková O, Lásiková A, Hajdúch M, Džubák P, Gracza T. Synthesis and antitumour activity of varitriol and its analogues. ARKIVOC. 2012;6:365-83. doi: 10.3998/ark.5550190.0013.633

Urban M, Vlk M, Džubák P, Hajdúch M, Šarek J. Cytotoxic heterocyclic triterpenoids derived from betulin and betulinic acid. Bioorg Med Chem. 2012 Jun 1;20(11):3666-74. doi: 10.1016/j.bmc.2012.03.066.

Hradilová L, Poláková M, Dvořáková B, Hajdúch M, Petruš L. Synthesis and cytotoxicity of some D-mannose click conjugates with aminobenzoic acid derivatives. Carbohydr Res. 2012 Nov 1;361:1-6. doi: 10.1016/j.carres.2012.08.001.

Hoksza D, Svozil D. Efficient RNA pairwise structure comparison by SETTER method. Bioinformatics. 2012 Jul 15;28(14):1858-64. doi: 10.1093/bioinformatics/bts301.

Cech P, Svozil D, Hoksza D. SETTER: web server for RNA structure comparison. Nucleic Acids Res. 2012 Jul;40(Web Server issue):W42-8. doi: 10.1093/nar/gks560.

Jorda R, Paruch K, Krystof V. Cyclin-dependent kinase inhibitors inspired by roscovitine: purine bioisosteres. Curr Pharm Des. 2012;18(20):2974-80. doi: 10.2174/138161212800672804.

Rejman D, Rabatinová A, Pombinho AR, Kovačková S, Pohl R, Zborníková E, Kolář M, Bogdanová K, Nyč O, Sanderová H, Látal T, Bartůněk P, Krásný L. Lipophosphonoxins: new modular molecular structures with significant antibacterial properties. J Med Chem. 2011 Nov 24;54(22):7884-98. doi: 10.1021/jm2009343.

Sedlák D, Paguio A, Bartůněk P. Two panels of steroid receptor luciferase reporter cell lines for compound profiling. Comb Chem High Throughput Screen. 2011 May;14(4):248-66. doi: 10.2174/138620711795222446.

Cech P, Svozil D. mmView: a web-based viewer of the mmCIF format. BMC Res Notes. 2011 Apr 12;4:121. doi: 10.1186/1756-0500-4-121.