Papers

INSTITUTE OF MOLECULAR GENETICS ASCR, v. v. i., Prague

2020

- Králová, J, Jurášek M, Mikšátková L, Marešová A, Fähnrich, Cihlářová P, Drašar P, Bartůněk P, and Král V. Influence of fluorophore and linker length on the localization and trafficking of fluorescent sterol probes. Sci Rep 2020. 10, 22053 . DOI

- Škuta C., Cortés-Ciriano I., Dehaen W., Kříž P., van Westen G. J. P., Tetko I. V., Bender A., Svozil D. QSAR-derived affinity fingerprints (part 1): fingerprint construction and modeling performance for similarity searching, bioactivity classification and scaffold hopping. Journal of Cheminformatics 12:39 2020. DOI

- Cortés-Ciriano I., Škuta C., Bender A., Svozil D. QSAR-derived affinity fingerprints (part 2): modeling performance for potency prediction. Journal of Cheminformatics 12:41 2020. DOI

2019

- 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

- 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

- 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

- 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, Edgar 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, and Gribbon P. EU-OPENSCREEN: A Novel Collaborative Approach to Facilitate Chemical Biology. SLAS Discov 2019 Jan 7:2472555218816276. PubMed, DOI

2018

- 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. PubMed, DOI

- 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. PubMED, DOI

- 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 May 24 [Epub ahead of print]. PubMed, DOI

- Brustikova K, Sedlak D, Kubikova J, Skuta C, Solcova K., Malik R, Bartunek P, and Svoboda P. Cell-based reporter system for high-throughput screening of microRNA pathway inhibitors and its limitations. Frontiers in Genetics. 2018 February 27; 9:45. Pubmed, DOI

- Rárová L, Sedlák D, Oklestkova J, Steigerová J, Liebl 5, 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. Epub 2018 Jan 4. PubMed, DOI

- 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.  PubMed, DOI

2017

- 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. Epub 2017 Oct 18. PubMed, DOI

- 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. PubMed, DOI

- 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. (2017) Lipophosphonoxins II: Design, Synthesis, and Properties of Novel Broad Spectrum Antibacterial Agents. J Med Chem. 2017 Jul 27; 60(14):6098-6118 PudMed, DOI

- 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. PudMed, DOI

- 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. PubMed, DOI

2016

- Brezániova I, Hrubý M, Králová J, Král V, Černochová Z, Černoch P, Šlouf M, Kredátusová J, Štěpánek P. (2016) Temoporfin-loaded 1-tetradecanol-based thermoresponsive solid lipid nanoparticles for photodynamic therapy.Journal Control Release. 2016 Nov 10;241:34-44. PubMed, DOI

- Biedermann D, Buchta M, Holečková V, Sedlák D, Valentová K, Cvačka J, Bednářová L, Křenková A, Kuzma M, Škuta C, Peikerová Ž, Bartůněk P, Křen V. (2016) Silychristin: Skeletal Alterations and Biological Activities. Journal of Natural Products. 2016 Dec 23;79(12):3086-3092. PubMed, DOI

- 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. PubMed, DOI

- 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 receptor of AB-functionalized cholestanes. J Steroid Biochem Mol Biol. 2016 May;159:154-69. PubMed, DOI

2015

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

- 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. (2015) Caffeine-hydrazones as anticancer agents with pronounced selectivity toward T-lymphoblastic leukaemia cells. Bioorg Chem. 60:19-29. PubMed, DOI

- Kaplánek R, Havlík M, Dolenský B, Rak J, Džubák P, Konečný P, Hajdúch M, Králová J, Král V. (2015) Synthesis and biological activity evaluation of hydrazone derivatives based on a Tröger's base skeleton. Bioorg Med Chem. 23:1651-9. PubMed, DOI

- Liegertová M, Pergner J, Kozmiková I, Fabian P, Pombinho AR, Strnad H, Pačes J, Vlček Č, Bartůněk P, Kozmik Z. (2015) Cubozoan genome illuminates functional diversification of opsins and photoreceptor evolution. Sci Rep. 5:11885. PubMed, DOI

2014

- Škuta C, Bartůněk P, Svozil D. (2014) InCHlib - interactive cluster heatmap for web applications. J Cheminform. 6:44. PubMed, DOI

- Hoksza D, Skoda P, Voršilák M, Svozil D. (2014) Molpher: A software framework for systematic chemical space exploration. J Cheminform. 6:7. PubMed, DOI

- 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. (2014) Monensin inhibits canonical Wnt signaling in human colorectal cancer cells and suppresses tumor growth in multiple intestinal neoplasia mice. Mol Cancer Ther. 13:812-22. PubMed, DOI

- Podolska K, Sedlak D, Bartunek P, Svoboda P. (2014) Fluorescence-based high-throughput screening of dicer cleavage activity. J Biomol Screen. 19:417-26. PubMed, DOI

- Sedlák D, Eignerová B, Dračinský M, Janoušek Z, Bartůněk P, Kotora M. (2014) Synthesis and evaluation of 17 alpha-(carboranylalkyl)estradiols as ligands for estrogen receptors alpha and beta, J Organometal Chem. 747:178-83. DOI

2013

- Beranova L, Pombinho AR, Spegarova J, Koc M, Klanova M, Molinsky J, Klener P, Bartunek P, Andera L. (2013) The plant alkaloid and anti-leukemia drug homoharringtonine sensitizes resistant human colorectal carcinoma cells to TRAIL-induced apoptosis via multiple mechanisms. Apoptosis. 18:739-50. PubMed, DOI

2012

- Rárová L, Zahler S, Liebl J, Kryštof V, Sedlák D, Bartůněk P, Kohout L, Strnad M. (2012) Brassinosteroids inhibit in vitro angiogenesis in human endothelial cells. Steroids. 77:1502-9. PubMed, DOI

- Alquicer G, Sedlák D, Byun Y, Pavlíček J, Stathis M, Rojas C, Slusher B, Pomper MG, Bartůněk P, Bařinka C. (2012) Development of a high-throughput fluorescence polarization assay to identify novel ligands of glutamate Carboxypeptidase II. J Biomol Screen. 17:1030-40. PubMed, DOI

- Hessler F, Císařová I, Sedlák D, Bartůněk P, Kotora M. (2012) Synthesis of ferrocenestrone: The first metallocene based steroid analogue. Chemistry. 27:5515-8. PubMed, DOI

2011

- Rejman D, Rabatinova A, Pombinho AR, Kovačková S, Pohl R, Zborníková E, Kolář M, Bogdanová K, Nyč O, Šanderová H, Látal T, Bartůněk P, Krásný L. (2011) Lipophosphonoxins: New modular molecular structures with significant antibacterial pProperties. J Med Chem. 54:7884-98. PubMed, DOI

- Sedlák D, Paguio A, Bartůněk P. (2011) Two panels of steroid receptor luciferase reporter cell lines for compound profiling. Comb Chem High Throughput Screen. 14:248-66. PubMed, DOI

 

INSTITUTE OF MOLECULAR AND TRANSLATIONAL MEDICINE, Olomouc

2020

Rehulka, J.; Burglova, K.; Krejci, P.; Gurska, S.; Hradil, P.; Hajduch, M.; Dzubak, P.; Hlavac, J. Fluorinated derivatives of 2-phenyl-3-hydroxy-4(1H)-quinolinone as tubulin polymerization inhibitors. European Journal of Medicinal Chemistry. 2020 Apr 15;192:112176. doi: 10.1016/j.ejmech.2020.112176. DOI

Schadich, E.; Kryshchyshyn-Dylevych, A.; Holota, S.; Polishchuk, P.; Dzubak, P.; Gurská, S.; Hajdúch, M.; Lesyk, R. Assessing different thiazolidine and thiazole based compounds as antileishmanial scaffolds. Bioorganic & Medicinal Chemistry Letters. 2020 Dec 1;30(23):127616. doi: 10.1016/j.bmcl.2020.127616. DOI

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 glykolipid mimetics. Carbohydrate Research. 2020 Feb;488:107905. doi: 10.1016/j.carres.2019.107905. DOI

2019

- Borková, L., I. Frydrych, N. Jakubcová, R. Adámek, B. Lišková, S. Gurská, M. Medvedíková, M. Hajdúch a M. Urban. Synthesis and biological evaluation of triterpenoid thiazoles derived from betulonic acid, dihydrobetulonic acid, and ursonic acid. European Journal of Medicinal Chemistry. 2019, 185, 111806. ISSN 0223-5234. DOI

- Briza, T., J. Kralova, S. Rimpelova, M. Havlik, R. Kaplanek, Z. Kejik, P. Martasek, I. Mikula, P. Džubák, M. Hajdúch, T. Ruml a V. Kral.Pentamethinium salts as ligands for cancer: Sulfated polysaccharide co-receptors as possible therapeutic target. Bioorganic Chemistry. 2019, 73, 74-85.DOI

- 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. Bioorganic & Medicinal Chemistry. 2019 Oct 1;27(19):115032. DOI

- Polishchuk, P., A. Kutlushina, D. Bashirova, O. Mokshyna a T. Madzhidov. Virtual Screening Using Pharmacophore Models Retrieved from Molecular Dynamic Simulations. International Journal of Molecular Sciences. 2019 Nov 20;20(23):5834.DOI

2018

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

- 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

- 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

- Temirgaziyev B S, 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. 2018 Nov 17. pii: S0039-128X(18)30211-3. DOI

- 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

2016

- Agrawal K, Kaplánek V, Otmar M, Krečmerová M, Džubák P, Hajdúch M. (2016) Cell based DNA demethylation detection system for screening of epigenetic drugs in 2D, 3D, and xenograft models. Cytometry A. doi:10.1002/cyto.a.23004. PubMed, DOI

- Das V, Fürst T, Gurská S, Džubák P, Hajdúch M (2016) Reproducibility of Uniform Spheroid Formation in 384-Well Plates: The Effect of Medium Evaporation. Journal of Biomelecular Screening. 21(9): 923-30. PubMed, DOI

- Schadich E, Hlaváč J, Volná T, Varanasi L, Hajdúch M, Džubák P. (2016) Effects of Ginger Phenylpropanoids and Quercetin on Nrf2-ARE Pathway in Human BJ Fibroblasts and HaCaT Keratinocytes. BioMed Research International. 2016: 2173275. PubMed, DOI

2015

- Hezova R, Kovarikova A, Srovnal J, Zemanova M, Harustiak T, Ehrmann J, Hajdúch M, Sachlova M, Svoboda M, Slabý O. (2015) MiR-205 functions as a tumor suppressor in adenocarcinoma and an oncogene in squamous cell carcinoma of esophagus. Tumour Biol. 1-12. PubMed, DOI

- Sulovská L, Holub D, Židová Z, Divoka M, Hajdúch M, Mihál V, Vrbková J, Horváthová M, Pospíšilová D. (2015) Characterization of iron metabolism and erythropoiesis in erythrocyte membrane defects and thalassemia traits. Biomed Pap Med Fac Univ Palacky Olomouc Czech Repub.160:231-7. PubMed, DOI

2014

- Nauš P, Caletková, O, Konečný P, Džubák P, Bogdanová K, Kolář M, Vrbková J, Slavětínská L, Tloušťová E, Perlíková P, Hajdúch M, Hocek M. (2014) Synthesis, cytostatic, antimicrobial, and anti-HCV activity of 6-substituted 7-(het)aryl-7-deazapurine ribonucleosides. J Med Chem. 57:1097-110. PubMed, DOI

- 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, Rezáčova P, Veverka V, Hocek M, Píchova I. (2014) Structural basis for inhibition of mycobacterial and human adenosine kinase by 7-substituted 7-(het)aryl-7-deazaadenine ribonucleosides. J Med Chem. 57:8268-79. PubMed, DOI

- Mattová J, Poučková P, Kučka J, Škodová M, Vetrík M, Štěpánek P, Urbánek P, Petrik M, Novy Z, Hrubý M. (2014) Chelating polymeric beads as potential therapeutics for Wilson's disease. Eur J Pharm Sci. 62:1-7. PubMed, DOI

- Das V, Sim DA, Miller JH. (2014) 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. 92:1155-66. PubMed, DOI

- Messina I, Popa I, Maier V, Soural M. (2014) Solid-phase synthesis of 5-noranagrelide derivatives. ACS Comb Sci. 16:33-8. PubMed, DOI

- McMaster C, Fülöpová V, Popa I, Grepl M, Soural M. (2014) Solid-phase synthesis of anagrelide sulfonyl analogues. ACS Comb Sci. 16:221-4. PubMed, DOI

- Cankařová N, Venia la A, Krchňák V. (2014) Polymer-supported stereoselective synthesis of tetrahydrobenzopyrazino-thiadiazinone dioxides via N-sulfonyl iminiums. ACS Comb Sci. 16:293-302. PubMed, DOI

- Motyka K, Stýskala J, Cankař P, Hlavac J. (2014) Fluorescence properties of selected benzo[c]phenanthridines. J Fluoresc. 24:1177-82. PubMed, DOI

- Kadric J, Motyka K, Dzubak P, Hajdúch M, Soural M. (2014) Synthesis, cytotoxic activity, and fluorescence properties of a set of novel 3-hydroxyquinolin-4(1H)-ones. Tetrahedron Lett. 55:3592-5. DOI

- Ventosa-Andrés P, Hradilová L, Krchňák V. (2014) Privileged structures as peptide backbone constraints: Polymer-supported stereoselective synthesis of benzimidazolinopiperazinone peptides. ACS Comb Sci. 16:359-66. PubMed, DOI

2013

- Jurášek M, Džubák P, Sedlák D, Dvořáková H, Hajdúch M, Bartůněk P, Drašar P. (2013) Preparation, preliminary screening of new types of steroid conjugates and their activities on steroid receptors. Steroids. 78:356-61. PubMed, DOI

2012

- Kollareddy M, Zheleva D, Dzubak P, Brahmkshatriya PS, Lepsik M, Hajduch M. (2012) Aurora kinase inhibitors: Progress towards the clinic. Invest New Drugs. 30:2411-32. PubMed, DOI

- Perlíková P, Konečný P, Nauš P, Snášel J, Votruba I, Džubák P, Pichová I, Hajdúch M, Hocek M. (2012) 6-Alkyl-, 6-aryl- or 6-hetaryl-7-deazapurine ribonucleosides as inhibitors of human or MTB adenosine kinase and potential antimycobacterial agents. MedChemComm. 4:1497-1500. DOI

- Hrabakova R, Kollareddy M, Tyleckova J, Halada P, Hajduch M, Gadher SJ, Kovarova H. (2012) Cancer cell resistance to aurora kinase inhibitors: Identification of novel targets for cancer therapy. J Proteome Res. 12:455-69. PubMed, DOI

- Tyleckova J, Hrabakova R, Mairychova K, Halada P, Radova L, Dzubak P, Hajduch M, Gadher SJ, Kovarova H. (2012) Cancer cell response to anthracyclines effects: Mysteries of the hidden proteins associated with these drugs. Int J Mol Sci. 13:15536-64. PubMed, DOI

- Caletková O, Lásiková A, Hajdúch M, Džubák P, Gracza T. (2012) Synthesis and antitumour activity of varitriol and its analogues. ARKIVOC. 2012:365-83. DOI

- Urban M, Vlk M, Džubák P, Hajdúch M, Šarek J. (2012) Cytotoxic heterocyclic triterpenoids derived from betulin and betulinic acid. Bioorg Med Chem. 20:3666-74. PubMed, DOI

- Hradilová L, Poláková M, Dvořáková B, Hajdúch M, Petruš L. (2012) Synthesis and cytotoxicity of some D-mannose click conjugates with aminobenzoic acid derivatives. Carbohydr Res. 2012:1-6. PubMed, DOI

 

INSTITUTE OF CHEMICAL TECHNOLOGY, Prague

2020

- Stork C., Embruch B.,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 36 (4) 1291-1292  2020. DOI

- Jurásek B., Čmelo I., Svoboda J. Čejka J., Svozil D., Kuchař M. New psychoactive substances on dark web markets: from deal solicitation to forensic analysis of purchased substances. Drug Testing and Analysis. 17 July 2020. DOI

- 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? Frontiers in Chemistry 8:499 2020. DOI

- Voršilák M., Kolář M., Čmelo I., Svozil D. SYBA: Bayesian estimation of synthetic accessibility of organic compounds. Journal of Cheminformatics 12:35 2020. DOI

2019

- 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

- 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

2017

- Voršilák M, Svozil D. (2017) Nonpher: computational method for design of hard-to-synthesize structures. J Cheminform. Mar 20;9(1):20. Pubmed, DOI

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

2015

- Čech P, Hoksza D, Svozil D. (2015) MultiSETTER: Web server for multiple RNA structure comparison. BMC Bioinformatics. 16:253. PubMed, DOI

- Hoksza D., Svozil D. (2015) Multiple 3D RNA structure superposition using neighbor joining. IEEE/ACM Trans Comput Biol Bioinform. 12:520-530. PubMed, DOI

2014

- Schneider B, Černý J, Svozil D, Čech P, Gelly JP, de Brevern AG. (2014) Bioinformatic analysis of the protein/DNA interface. Nucleic Acids Res. 42:3381-94. PubMed, DOI

2013

- Čech P, Kukal J, Černý J, Schneider B, Svozil D. (2013) Automatic workflow for the classification of local DNA conformations. BMC Bioinformatics. 14:205. PubMed, DOI

2012

- Hoksza D, Svozil D. (2012) Efficient RNA pairwise structure comparison by SETTER method. Bioinformatics. 28:1858-64. PubMed, DOI

- Čech P, Svozil D, Hoksza D. (2012) SETTER: Web server for RNA structure comparison. Nucleic Acids Res. 40:W42-8. PubMed, DOI

2011

- Čech P, Svozil D. (2011) mmView: A web-based viewer of the mmCIF format. BMC Res Notes. 4:121. PubMed, DOI

 

INSTITUTE OF CHEMISTRY, FACULTY OF SCIENCE, MASARYK UNIVERSITY, Brno

2020

- Drápela, S.; Khirsariya, P.; van Weerden, W. M.; Fedr, R.; Suchánková, T.; Búzová, D.; Červený, J.; Hampl, A.; Puhr, M.; Watson, W. R.; Culig, Z.; Krejčí, L.; Paruch, K.; Souček, K.* The CHK1 inhibitor MU380 significantly increases sensitivity of human docetaxel resistant prostate cancer cells to gemcitabine by induction of mitotic catastrophe. Mol. Oncol. 2020 Jun 24;14(10):2487-2503. doi: 10.1002/1878-0261.12756. DOI

- Vojáčková, P.; Michalska, L.; Nečas, M.; Scherbakov, D.; Böttger, E. C.; Šponer, J.; Šponer, J.; Švenda, J. A stereocontrolled synthesis of (−)-bactobolin A. J. Am. Chem. Soc. 2020 Apr 22;142(16):7306-7311.doi: 10.1021/jacs.0c01554. DOI

- Moyano Martín, 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

2019

- Boudný, M.; Zemanová, J.; Khirsariya, P.; Borský, M.; Verner, J.; Černá, J.; Oltová, A.; Šeda, V.; Mráz, M.; Jaroš, J.; Kašparková, M.; Jašková, Z.; Spunarová, M.; Brychtová, Y.; Souček, K.; Drápela, S.; Mayer, J.; Paruch, K.; Trbušek, M. Novel Chk1 inhibitor MU380 exhibits significant single-agent activity in TP53-mutated chronic lymphocytic leukemia cells. Haematologica 2019, 104, 2443. DOI

- Chirackal Manavalan, A. P.; Pilarová, K.; Kluge, M.; Bartholomeeusen, K.; Oppelt, J.; Khirsariya, P.; Paruch, K.; Krejčí, L.; Friedel, C. C.; Blažek, D. CDK12 controls G1/S progression by regulating RNAPII processivity of core DNA replication genes. EMBO Rep. 2019 Sep;20(9):e47592. DOI

- Němec, V.; Hylsová, M.; Maier, L.; Flegel, J.; Sievers, S.; Ziegler, S.; Schröder, M. Berger, B.-T.; Chaikuad, A.; Valčíková, B.; Uldrijan, S.; Drápela, S.; Souček, K.; Waldmann, H.; Knapp, S.; Paruch, K. Furo[3,2-b]pyridine: A novel 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

2018

- Havel Š, 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

- Vojáčková, P.; Chalupa, D.; Prieboj, J.; Nečas, M.; Švenda, J. Enantioselective conjugate additions of 2-alkoxycarbonyl-3(2H)-furanones. Org. Lett. 2018 Nov 16;20(22):7085-7089. DOI

- 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 Feb 25. [Epub ahead of print] Pubmed, DOI

2017

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

-  Herůdková J, Paruch K, Khirsariya P, Souček K, Krkoška M, Vondálová Blanářová O, Sova P, Kozubík A, Hyršlová Vaculová A (2017) Chk1 Inhibitor SCH900776 Effectively Potentiates the Cytotoxic Effects of Platinum-Based Chemotherapeutic Drugs in Human Colon Cancer Cells. Neoplasia. Oct;19(10):830-841. Epub 2017 Sep 6. PubMed, DOI

-  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. (2017) 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. Sep;16(9):1831-1842. Epub 2017 Jun 15. PubMed, DOI

- Maier L, Khirsariya P, Hylse O, Adla SK, Černová L, Poljak M, Krajčovičová S, Weis E, Drápela S, Souček K, Paruch K. (2017) Diastereoselective Flexible Synthesis of Carbocyclic C-Nucleosides. J Org Chem. 82(7):3382-3402. PubMed, DOI

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

- 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. (2017) 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. 126:1118-1128.  DOI

- Nekardová M, Vymětalová L, Khirsariya P, Kováčová S,  Hylsová M, Jorda R, Kryštof V, Fanfrlík J, Hobza P, Paruch K. (2017) Structural Basis of Interaction of CDK2 with Roscovitine and its Analogues Having Bioisosteric Central Heterocycles. ChemPhysChem. In press, PubMed,

2016

- Zemanová J, Hylse O, Collaková J, Veselý P, Oltová A, Borský M, Zápražná K, Kašpárková M, Janovská P, Verner J, Kohoutek J, Dzimková M, Bryja V, Brychtová Y, Paruch K, Trbušek M. (2016) Chk1 Inhibition Significantly Potentiates Activity of Nucleoside Analogs in TP53-mutated B-Lymphoid Cells. Oncotarget.7:62091-62106. PubMed, DOI

- Hill N, Paruch K, Švenda J. (2016) Late-stage Annulative Convergency in Natural Product Synthesis. Tetrahedron. 72:3345.  DOI

2015

- Amaro M, Brezovský J, Kováčová S, Sýkora J, Bednář D, Němec V, Lišková V, Kurumbang N, Beerens K, Chaloupková R, Paruch K, Hof M, Damborský J. (2015) Site-specific analysis of protein hydration based on unnatural amino acid fluorescence. J Am Chem Soc. 137:4988-92. PubMed, DOI

- Kováčová S, Adla SK, Maier L, Babiak M, Mizushina Y, Paruch K. (2015) Synthesis of carbocyclic analogs of dehydroaltenusin: Identification of a stable inhibitor of calf DNA polymerase α. Tetrahedron, 71:7575-82. DOI

2014

- Labroli MA, Dwyer MP, Popovici-Muller J, Pu Q, Richard J, Rosner K, Paruch K, Guzi TJ. (2014) Syntheses of 5´-amino-2´,5´-dideoxy-2´,2´-difluorocytidine derivatives as novel anticancer nucleoside analogs. Tetrahedron Lett. 55:598-602. DOI

- Maier L, Hylse O, Necas M, Trbusek M, Ytre-Arne M, Dalhus B, Bjoras M, Paruch K. (2014) New carbocyclic nucleosides: Synthesis of carbocyclic pseudoisocytidine and its analogs. Tetrahedron Lett. 55:3713-6. DOI

2013

- Amaro M, Brezovsky J, Kováčová S, Maier L, Chaloupková R, Sykora J, Paruch K, Damborský J, Hof M. (2013) Are time-dependent fluorescence shifts at the tunnel mouth of haloalkane dehalogenase enzymes dependent on the choice of the chromophore? J Phys Chem B. 117:7898-906. PubMed, DOI

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

- 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. (2013) Discovery of pyrazolo[1,5-a]pyrimidine-based Pim inhibitors: A template-based approach. Bioorg Med Chem Lett. 23:6178-82. PubMed, DOI

2012

- Jorda R, Paruch K, Krystof V. (2012) Cyclin-dependent kinase inhibitors inspired by roscovitine: Purine bioisosteres. Curr Pharm Des. 18:2974-80. PubMed, DOI