New website of the infrastracture has been launched, containing all essential information about the technology and know-how at the infrastructure. Please, use the contact form to get in touch with us!
New advanced diversity library
24 / 03 / 2023
The CZ-OPENSCREEN compound library was recently enhanced by including 9,944 of novel high-quality chemical compounds of the Advanced Diversity Set(selected from the Enamine's Advanced Diversity Library). The collection contains premium small molecules with lead-like properties (molecular ≤ 350, cLogP ≤ 3, and rotatable bonds ≤ 7 and/or valuable pharmacophores suc as carboxylic, primary amino and amide groups). The library is specific for representing synthetically new and unique chemotypes with sp3-rich molecular scaffolds, which are likely to interact with hardly druggable biological targets.
CZ-OPENSCREEN at the 1st Czech Cheminformatics Meeting
01 / 03 / 2023
On February 21st, we attended the 1st Czech Cheminformatics Meeting organized by Daniel Svozil (UCT Prague) and Pavel Polishchuk (IMTM Olomouc) at UCT Prague. At this one day meeting, group leaders of cheminformatics-focused groups presented the research topics carried out in Czech Republic. The keynote lecture on "Molecular cartography application to Big Data visualization and analysis" was given by prof. Alexandre Varnek from the University of Strasbourg.
New CZ-OPENSCREEN website launched
10 / 05 / 2022
Meet us next week at ECBS2023 in Gothenburg
02 / 05 / 2023
Next week, we will attend the ELRIG´S THERAPEUTIC OLIGOS & EUROPEAN CHEMICAL BIOLOGY SYMPOSIUM 2023 (ECBS2023) in Gothenburg, Sweden, co-organized by ELRIG and EU-OPENSCREEN/EuChemS, and hosted by AstraZeneca R&D site. The conference will focus on topics like Therapeutic OLIGO profiling, Advancements in OLIGO design and synthesis, Novel formulations and biomarker analysis, Chemical probe-induced protein interaction and degradation, New ways to shape and interrogate biology through chemistry, and innovative tools and methods for advanced cell profiling.
Next week on 24th of May, we are going to present the Probes & Drugs portal at the prestigious conference Modern phenotypic drug discovery: From chemical biology to therapeutics in Denver, Colorado, organized by the Keystone Symposia on Molecular and Cellular Biology organization. In a short talk, we are going to present the current state of the portal under the title Probes & Drugs portal in 2022: A hub for the integration of high-quality bioactive compound sets, followed by a poster with the same name.
Psutkova V, Nickl P, Brezinova V, Machonova O, Machon O. Transcription factor Meis1b regulates craniofacial morphogenesis in zebrafish. Dev Dyn. 2024 Aug 1. doi: 10.1002/dvdy.731. Epub ahead of print. PMID: 39087648.
Agea MI, Čmelo I, Dehaen W, Chen Y, Kirchmair J, Sedlák D, Bartůněk P, Šícho M, Svozil D. Chemical space exploration with Molpher: Generating and assessing a glucocorticoid receptor ligand library. Mol Inform. 2024 Aug;43(8):e202300316. doi: 10.1002/minf.202300316. Epub 2024 Jul 9. PMID: 38979783.
Vukic M, Chouaref J, Della Chiara V, Dogan S, Ratner F, Hogenboom JZM, Epp TA, Chawengsaksophak K, Vonk KKD, Breukel C, Ariyurek Y, San Leon Granado D, Kloet SL, Daxinger L. CDCA7-associated global aberrant DNA hypomethylation translates to localized, tissue-specific transcriptional responses. Sci Adv. 2024 Feb 9;10(6):eadk3384. doi: 10.1126/sciadv.adk3384. Epub 2024 Feb 9. PMID: 38335290; PMCID: PMC10857554.
Das V, Miller JH, Alladi CG, Annadurai N, De Sanctis JB, Hrubá L, Hajdúch M. Antineoplastics for treating Alzheimer's disease and dementia: Evidence from preclinical and observational studies. Med Res Rev. 2024 Mar 26. doi: 10.1002/med.22033. Epub ahead of print. PMID: 38530106.
Velavalapalli VM, Maddipati VC, Gurská S, Annadurai N, Lišková B, Katari NK, Džubák P, Hajdúch M, Das V, Gundla R. Novel 5-Substituted Oxindole Derivatives as Bruton's Tyrosine Kinase Inhibitors: Design, Synthesis, Docking, Molecular Dynamics Simulation, and Biological Evaluation. ACS Omega. 2024 Feb 7;9(7):8067-8081. doi: 10.1021/acsomega.3c08343. PMID: 38405484; PMCID: PMC10882696.
Kazakova A, Frydrych I, Jakubcová N, Pokorný J, Lišková B, Gurská S, Džubák P, Hajdúch M, Urban M. Novel triterpenoid pyrones, phthalimides and phthalates are selectively cytotoxic in CCRF-CEM cancer cells - Synthesis, potency, and mitochondrial mechanism of action. Eur J Med Chem. 2024 Apr 5;269:116336. doi: 10.1016/j.ejmech.2024.116336. Epub 2024 Mar 18. PMID: 38520761.
Mujawar T, Sevelda P, Madea D, Klán P, Švenda J. A Platform for the Synthesis of Oxidation Products of Bilirubin. J Am Chem Soc. 2024 Jan 17;146(2):1603-1611. doi: 10.1021/jacs.3c11778. Epub 2024 Jan 2. PMID: 38165253.
Němec V, Remeš M, Beňovský P, Böck MC, Šranková E, Wong JF, Cros J, Williams E, Tse LH, Smil D, Ensan D, Isaac MB, Al-Awar R, Gomolková R, Ursachi VC, Fafílek B, Kahounová Z, Víchová R, Vacek O, Berger BT, Wells CI, Corona CR, Vasta JD, Robers MB, Krejci P, Souček K, Bullock AN, Knapp S, Paruch K. Discovery of Two Highly Selective Structurally Orthogonal Chemical Probes for Activin Receptor-like Kinases 1 and 2. J Med Chem. 2024 Aug 8;67(15):12632-12659. doi: 10.1021/acs.jmedchem.4c00629. Epub 2024 Jul 18. PMID: 39023313; PMCID: PMC11320582.
Ramundo A, Janoš J, Muchová L, Šranková M, Dostál J, Kloz M, Vítek L, Slavíček P, Klán P. Visible-Light-Activated Carbon Monoxide Release from Porphyrin-Flavonol Hybrids. J Am Chem Soc. 2024 Jan 10;146(1):920-929. doi: 10.1021/jacs.3c11426. Epub 2023 Dec 29. PMID: 38157303; PMCID: PMC10785818.
Okoročenkova J, Filgas J, Khan NM, Slavíček P, Klán P. Thermal Truncation of Heptamethine Cyanine Dyes. J Am Chem Soc. 2024 Jul 24;146(29):19768-19781. doi: 10.1021/jacs.4c02116. Epub 2024 Jul 12. PMID: 38995720; PMCID: PMC11273355.
Ramundo A, Hurtová M, Božek I, Osifová Z, Russo M, Ngoy BP, Křen V, Klán P. Multimodal Carbon Monoxide Photorelease from Flavonoids. Org Lett. 2024 Jan 26;26(3):708-712. doi: 10.1021/acs.orglett.3c04141. Epub 2024 Jan 16. PMID: 38227978; PMCID: PMC10825817.
Chvojka M, Madea D, Valkenier H, Šindelář V. Tuning CH Hydrogen Bond-Based Receptors toward Picomolar Anion Affinity via the Inductive Effect of Distant Substituents. Angew Chem Int Ed Engl. 2024 Jan 25;63(5):e202318261. doi: 10.1002/anie.202318261. Epub 2023 Dec 22. PMID: 38063265.
Del Mauro A, Lapešová J, Rando C, Šindelář V. Merging Bambus[6]uril and Biotin[6]uril into an Enantiomerically Pure Monofunctionalized Hybrid Macrocycle. Org Lett. 2024 Jan 12;26(1):106-109. doi: 10.1021/acs.orglett.3c03715. Epub 2023 Dec 28. PMID: 38153981; PMCID: PMC10789090.
Abramova V, Leal Alvarado V, Hill M, Smejkalova T, Maly M, Vales K, Dittert I, Bozikova P, Kysilov B, Hrcka Krausova B, Vyklicky V, Balik A, Fili K, Korinek M, Chodounska H, Kudova E, Ciz D, Martinovic J, Cerny J, Bartunek P, Vyklicky L. Effects of Pregnanolone Glutamate and Its Metabolites on GABAA and NMDA Receptors and Zebrafish Behavior. ACS Chem Neurosci. 2023 May 17;14(10):1870-1883. doi: 10.1021/acschemneuro.3c00131. Epub 2023 May 1. PMID: 37126803; PMCID: PMC10198160.
Demkova L, Bugajev V, Utekal P, Kuchar L, Schuster B, Draber P, Halova I. Simultaneous reduction of all ORMDL proteins decreases the threshold of mast cell activation. Sci Rep. 2023 Jun 14;13(1):9615. doi: 10.1038/s41598-023-36344-5. PMID: 37316542; PMCID: PMC10267218.
Bugajev V, Draberova L, Utekal P, Blazikova M, Tumova M, Draber P. Enhanced Membrane Fluidization and Cholesterol Displacement by 1-Heptanol Inhibit Mast Cell Effector Functions. Cells. 2023 Aug 15;12(16):2069. doi: 10.3390/cells12162069. PMID: 37626879; PMCID: PMC10453462.
Muddu Krishna C, Kolla JN, Bollikolla HB, Sravan Kumar Reddy T, Asha S. Ethyl Gallate: Promising Cytoprotective against HIV-1-Induced Cytopathy and Antiretroviral-Induced Cytotoxicity. Adv Virol. 2023 Jul 12;2023:6727762. doi: 10.1155/2023/6727762. PMID: 37475729; PMCID: PMC10356543.
Hruba L, Das V, Hajduch M, Dzubak P. Nucleoside-based anticancer drugs: Mechanism of action and drug resistance. Biochem Pharmacol. 2023 Sep;215:115741. doi: 10.1016/j.bcp.2023.115741. Epub 2023 Aug 9. PMID: 37567317.
Ivasechko I, Lozynskyi A, Senkiv J, Roszczenko P, Kozak Y, Finiuk N, Klyuchivska O, Kashchak N, Manko N, Maslyak Z, Lesyk D, Karkhut A, Polovkovych S, Czarnomysy R, Szewczyk O, Kozytskiy A, Karpenko O, Khyluk D, Gzella A, Bielawski K, Bielawska A, Dzubak P, Gurska S, Hajduch M, Stoika R, Lesyk R. Molecular design, synthesis and anticancer activity of new thiopyrano[2,3-d]thiazoles based on 5-hydroxy-1,4-naphthoquinone (juglone). Eur J Med Chem. 2023 Apr 5;252:115304. doi: 10.1016/j.ejmech.2023.115304. Epub 2023 Mar 24. PMID: 37001390.
Koraboina CP, Maddipati VC, Annadurai N, Gurská S, Džubák P, Hajdúch M, Das V, Gundla R. Synthesis and Biological Evaluation of Oxindole Sulfonamide Derivatives as Bruton's Tyrosine Kinase Inhibitors. ChemMedChem. 2024 Jan 2;19(1):e202300511. doi: 10.1002/cmdc.202300511. Epub 2023 Nov 22. PMID: 37916435.
Minibaeva G, Ivanova A, Polishchuk P. EasyDock: customizable and scalable docking tool. J Cheminform. 2023 Nov 1;15(1):102. doi: 10.1186/s13321-023-00772-2. PMID: 37915072; PMCID: PMC10619229.
Garmendia JV, De Sanctis CV, Das V, Annadurai N, Hajduch M, De Sanctis JB. Inflammation, Autoimmunity and Neurodegenerative Diseases, Therapeutics and Beyond. Curr Neuropharmacol. 2023 Oct 17. doi: 10.2174/1570159X22666231017141636. Epub ahead of print. PMID: 37898823.
Gutiérrez JE, Ramírez H, Fernandez-Moreira E, Acosta ME, Mijares MR, De Sanctis JB, Gurská S, Džubák P, Hajdúch M, Labrador-Fagúndez L, Stella BG, Díaz-Pérez LJ, Benaim G, Charris JE. Synthesis, Antimalarial, Antileishmanial, and Cytotoxicity Activities and Preliminary In Silico ADMET Studies of 2-(7-Chloroquinolin-4-ylamino)ethyl Benzoate Derivatives. Pharmaceuticals (Basel). 2023 Dec 9;16(12):1709. doi: 10.3390/ph16121709. PMID: 38139835; PMCID: PMC10747975.
Marešová, A., Jurášek, M., Zimmermann, T. et al. Improved syntheses of P2X7 ligands based on substituted benzyl amide of pyroglutamic acid motif labelled with iodine-123 or iodine-125. J Radioanal Nucl Chem 332, 4191–4199 (2023). https://doi.org/10.1007/s10967-023-09081-2
Zankov D, Madzhidov T, Polishchuk P, Sidorov P, Varnek A. Multi-Instance Learning Approach to the Modeling of Enantioselectivity of Conformationally Flexible Organic Catalysts. J Chem Inf Model. 2023 Nov 13;63(21):6629-6641. doi: 10.1021/acs.jcim.3c00393. Epub 2023 Oct 30. PMID: 37902548.
Rajan K, Brinkhaus HO, Agea MI, Zielesny A, Steinbeck C. DECIMER.ai: an open platform for automated optical chemical structure identification, segmentation and recognition in scientific publications. Nat Commun. 2023 Aug 19;14(1):5045. doi: 10.1038/s41467-023-40782-0. PMID: 37598180; PMCID: PMC10439916.
Šícho M, Luukkonen S, van den Maagdenberg HW, Schoenmaker L, Béquignon OJM, van Westen GJP. DrugEx: Deep Learning Models and Tools for Exploration of Drug-Like Chemical Space. J Chem Inf Model. 2023 Jun 26;63(12):3629-3636. doi: 10.1021/acs.jcim.3c00434. Epub 2023 Jun 5. PMID: 37272707; PMCID: PMC10306259.
Němec V, Khirsariya P, Janovská P, Moyano PM, Maier L, Procházková P, Kebková P, Gybel' T, Berger BT, Chaikuad A, Reinecke M, Kuster B, Knapp S, Bryja V, Paruch K. Discovery of Potent and Exquisitely Selective Inhibitors of Kinase CK1 with Tunable Isoform Selectivity. Angew Chem Int Ed Engl. 2023 Mar 6;62(11):e202217532. doi: 10.1002/anie.202217532. Epub 2023 Feb 2. PMID: 36625768.
Hason M, Jovicic J, Vonkova I, Bojic M, Simon-Vermot T, White RM, Bartunek P. Bioluminescent Zebrafish Transplantation Model for Drug Discovery. Front Pharmacol. 2022 Apr 27;13:893655. doi: 10.3389/fphar.2022.893655. PMID: 35559262; PMCID: PMC9086674.
Králová J, Popr M, Valečka J, Bartůněk P. Sterolight as imaging tool to study sterol uptake, trafficking and efflux in living cells. Sci Rep. 2022 Apr 15;12(1):6264. doi: 10.1038/s41598-022-10134-x. PMID: 35428843; PMCID: PMC9012876.
Delawská K, Divoká P, Sedlák D, Kuzma M, Saurav K, Macho M, Steinbach G, Hrouzek P. New Insights into Tolytoxin Effect in Human Cancer Cells: Apoptosis Induction and the Relevance of Hydroxyl Substitution of Its Macrolide Cycle on Compound Potency. Chembiochem. 2022 Jan 5;23(1):e202100489. doi: 10.1002/cbic.202100489. Epub 2021 Dec 9. PMID: 34821450.
Hason M, Mikulasova T, Machonova O, Pombinho A, van Ham TJ, Irion U, Nüsslein-Volhard C, Bartunek P, Svoboda O. M-CSFR/CSF1R signaling regulates myeloid fates in zebrafish via distinct action of its receptors and ligands. Blood Adv. 2022 Mar 8;6(5):1474-1488. doi: 10.1182/bloodadvances.2021005459. PMID: 34979548; PMCID: PMC8905693.
Rysanek D, Vasicova P, Kolla JN, Sedlak D, Andera L, Bartek J, Hodny Z. Synergism of BCL-2 family inhibitors facilitates selective elimination of senescent cells. Aging (Albany NY). 2022 Aug 8;14(16):6381-6414. doi: 10.18632/aging.204207. Epub 2022 Aug 8. PMID: 35951353; PMCID: PMC9467395.
Hadrava Vanova K, Pang Y, Krobova L, Kraus M, Nahacka Z, Boukalova S, Pack SD, Zobalova R, Zhu J, Huynh TT, Jochmanova I, Uher O, Hubackova S, Dvorakova S, Garrett TJ, Ghayee HK, Wu X, Schuster B, Knapp PE, Frysak Z, Hartmann I, Nilubol N, Cerny J, Taieb D, Rohlena J, Neuzil J, Yang C, Pacak K. Germline SUCLG2 Variants in Patients With Pheochromocytoma and Paraganglioma. J Natl Cancer Inst. 2022 Jan 11;114(1):130-138. doi: 10.1093/jnci/djab158. PMID: 34415331; PMCID: PMC8755484.
Ćavar Zeljković S, Schadich E, Džubák P, Hajdúch M, Tarkowski P. Antiviral Activity of Selected Lamiaceae Essential Oils and Their Monoterpenes Against SARS-Cov-2. Front Pharmacol. 2022 May 2;13:893634. doi: 10.3389/fphar.2022.893634. PMID: 35586050; PMCID: PMC9108200.
Kotulova J, Lonova K, Kubickova A, Vrbkova J, Kourilova P, Hajduch M, Dzubak P. 2‑Cl‑IB‑MECA regulates the proliferative and drug resistance pathways, and facilitates chemosensitivity in pancreatic and liver cancer cell lines. Int J Mol Med. 2022 Mar;49(3):31. doi: 10.3892/ijmm.2022.5086. Epub 2022 Jan 18. PMID: 35039871; PMCID: PMC8788926.
Hruba L, Polishchuk P, Das V, Hajduch M, Dzubak P. An identification of MARK inhibitors using high throughput MALDI-TOF mass spectrometry. Biomed Pharmacother. 2022 Feb;146:112549. doi: 10.1016/j.biopha.2021.112549. Epub 2021 Dec 16. PMID: 34923338.
Baručić D, Kaushik S, Kybic J, Stanková J, Džubák P, Hajdúch M. Characterization of drug effects on cell cultures from phase-contrast microscopy images. Comput Biol Med. 2022 Dec;151(Pt A):106171. doi: 10.1016/j.compbiomed.2022.106171. Epub 2022 Oct 14. PMID: 36306582.
Gutiérrez JE, Fernandez-Moreira E, Rodríguez MA, Mijares MR, De Sanctis JB, Gurská S, Džubák P, Hajdůch M, Bruno-Colmenarez J, Rojas L, Deffieux D, Pouységu L, Quideau S, Charris J, Ramírez H. Novel 7-Chloro-(4-thioalkylquinoline) Derivatives: Synthesis and Antiproliferative Activity through Inducing Apoptosis and DNA/RNA Damage. Pharmaceuticals (Basel). 2022 Oct 8;15(10):1234. doi: 10.3390/ph15101234. PMID: 36297346; PMCID: PMC9607427.
Yang C, Slavětínská LP, Fleuti M, Klepetářová B, Tichý M, Gurská S, Pavliš P, Džubák P, Hajdúch M, Hocek M. Synthesis of Polycyclic Hetero-Fused 7-Deazapurine Heterocycles and Nucleosides through C-H Dibenzothiophenation and Negishi Coupling. J Am Chem Soc. 2022 Oct 26;144(42):19437-19446. doi: 10.1021/jacs.2c07517. Epub 2022 Oct 16. PMID: 36245092; PMCID: PMC9619403.
Vrzalová A, Pečinková P, Illés P, Gurská S, Džubák P, Szotkowski M, Hajdúch M, Mani S, Dvořák Z. Mixture Effects of Tryptophan Intestinal Microbial Metabolites on Aryl Hydrocarbon Receptor Activity. Int J Mol Sci. 2022 Sep 16;23(18):10825. doi: 10.3390/ijms231810825. PMID: 36142735; PMCID: PMC9505659.
Rehulka J, Subtelna I, Kryshchyshyn-Dylevych A, Cherniienko A, Ivanova A, Matveieva M, Polishchuk P, Gurska S, Hajduch M, Zagrijtschuk O, Dzubak P, Lesyk R. Anticancer 5-arylidene-2-(4-hydroxyphenyl)aminothiazol-4(5H)-ones as tubulin inhibitors. Arch Pharm (Weinheim). 2022 Dec;355(12):e2200419. doi: 10.1002/ardp.202200419. Epub 2022 Sep 15. PMID: 36109178.
Schadich E, Nylén S, Gurská S, Kotulová J, Andronati S, Pavlovsky V, Soboleva S, Polishchuk P, Hajdúch M, Džubák P. Activity of 1-aryl-4-(naphthalimidoalkyl) piperazine derivatives against Leishmania major and Leishmania mexicana. Parasitol Int. 2022 Dec;91:102647. doi: 10.1016/j.parint.2022.102647. Epub 2022 Aug 17. PMID: 35985636.
Jurášek M, Řehulka J, Hrubá L, Ivanová A, Gurská S, Mokshyna O, Trousil P, Huml L, Polishchuk P, Hajdúch M, Drašar PB, Džubák P. Triazole-based estradiol dimers prepared via CuAAC from 17α-ethinyl estradiol with five-atom linkers causing G2/M arrest and tubulin inhibition. Bioorg Chem. 2023 Feb;131:106334. doi: 10.1016/j.bioorg.2022.106334. Epub 2022 Dec 23. PMID: 36592487.
Tumova S, Milacek M, Šnajdr I, Muthu M, Tuma R, Reha D, Jedlicka P, Bittova L, Novotna A, Majer P, Sedlak D, Jindra M. Unique peptidic agonists of a juvenile hormone receptor with species-specific effects on insect development and reproduction. Proc Natl Acad Sci U S A. 2022 Nov 29;119(48):e2215541119. doi: 10.1073/pnas.2215541119. Epub 2022 Nov 21. PMID: 36409882.
Souckova O, Skopova V, Baresova V, Sedlak D, Bleyer AJ, Kmoch S, Zikanova M. Metabolites of De Novo Purine Synthesis: Metabolic Regulators and Cytotoxic Compounds. Metabolites. 2022 Dec 2;12(12):1210. doi: 10.3390/metabo12121210. PMID: 36557247; PMCID: PMC9788633.
Bubanová D, Fučíková AM, Majláth I, Pajer P, Bjelková K, Majláthová V. The first detection of relapsing fever spirochete Borrelia miyamotoi in Ixodes ricinus ticks from the northeast Czech Republic. Ticks Tick Borne Dis. 2022 Sep 13;13(6):102042. doi: 10.1016/j.ttbdis.2022.102042. Epub ahead of print. PMID: 36126494.
Blanco Z, Fernandez-Moreira E, Mijares MR, Celis C, Martínez G, De Sanctis JB, Gurská S, Džubák P, Hajdůch M, Mijoba A, García Y, Serrano X, Herrera N, Correa-Abril J, Parra Y, Ángel J, Ramírez H, Charris JE. Synthesis, Leishmanicidal, Trypanocidal, Antiproliferative Assay and Apoptotic Induction of (2-Phenoxypyridin-3-yl)naphthalene-1(2H)-one Derivatives. Molecules. 2022 Aug 31;27(17):5626. doi: 10.3390/molecules27175626. PMID: 36080388; PMCID: PMC9457600.
Juza R, Vojtechova I, Stefkova-Mazochova K, Dehaen W, Petrasek T, Prchal L, Kobrlova T, Janousek J, Vlcek P, Mezeiova E, Svozil D, Karasova JZ, Pejchal J, Stark H, Satala G, Bojarski AJ, Kubacka M, Mogilski S, Randakova A, Musilek K, Soukup O, Korabecny J. Novel D2/5-HT receptor modulators related to cariprazine with potential implication to schizophrenia treatment. Eur J Med Chem. 2022 Mar 15;232:114193. doi: 10.1016/j.ejmech.2022.114193. Epub 2022 Feb 9. PMID: 35176563.
Prihoda D, Maamary J, Waight A, Juan V, Fayadat-Dilman L, Svozil D, Bitton DA. BioPhi: A platform for antibody design, humanization, and humanness evaluation based on natural antibody repertoires and deep learning. MAbs. 2022 Jan-Dec;14(1):2020203. doi: 10.1080/19420862.2021.2020203. PMID: 35133949; PMCID: PMC8837241.
Štefková-Mazochová K, Danda H, Dehaen W, Jurásek B, Šíchová K, Pinterová-Leca N, Mazoch V, Krausová BH, Kysilov B, Smejkalová T, Vyklický L, Kohout M, Hájková K, Svozil D, Horsley RR, Kuchař M, Páleníček T. Pharmacokinetic, pharmacodynamic, and behavioural studies of deschloroketamine in Wistar rats. Br J Pharmacol. 2022 Jan;179(1):65-83. doi: 10.1111/bph.15680. Epub 2021 Oct 31. PMID: 34519023.
Tharra PR, Mikhaylov AA, Švejkar J, Gysin M, Hobbie SN, Švenda J. Short Synthesis of (+)-Actinobolin: Simple Entry to Complex Small-Molecule Inhibitors of Protein Synthesis. Angew Chem Int Ed Engl. 2022 Apr 19;61(17):e202116520. doi: 10.1002/anie.202116520. Epub 2022 Feb 28. PMID: 35167723.
Khirsariya P, Pospíšil P, Maier L, Boudný M, Babáš M, Kroutil O, Mráz M, Vácha R, Paruch K. Synthesis and Profiling of Highly Selective Inhibitors of Methyltransferase DOT1L Based on Carbocyclic C-Nucleosides. J Med Chem. 2022 Apr 14;65(7):5701-5723. doi: 10.1021/acs.jmedchem.1c02228. Epub 2022 Mar 18. PMID: 35302777.
Szczepanik PM, Mikhaylov AA, Hylse O, Kučera R, Daďová P, Nečas M, Kubala L, Paruch K, Švenda J. Convergent Assembly of the Tricyclic Labdane Core Enables Synthesis of Diverse Forskolin-like Molecules. Angew Chem Int Ed Engl. 2023 Jan 2;62(1):e202213183. doi: 10.1002/anie.202213183. Epub 2022 Nov 29. PMID: 36321750.
Hluchý M, Gajdušková P, Ruiz de Los Mozos I, Rájecký M, Kluge M, Berger BT, Slabá Z, Potěšil D, Weiß E, Ule J, Zdráhal Z, Knapp S, Paruch K, Friedel CC, Blazek D. CDK11 regulates pre-mRNA splicing by phosphorylation of SF3B1. Nature. 2022 Sep;609(7928):829-834. doi: 10.1038/s41586-022-05204-z. Epub 2022 Sep 14. PMID: 36104565.
Attuluri VPS, Sánchez López JF, Maier L, Paruch K, Robert HS. Comparing the efficiency of six clearing methods in developing seeds of Arabidopsis thaliana. Plant Reprod. 2022 Dec;35(4):279-293. doi: 10.1007/s00497-022-00453-4. Epub 2022 Nov 15. PMID: 36378346; PMCID: PMC9705463.
Pospíšil J, Hrabovský M, Bohačiaková D, Hovádková Z, Jurásek M, Mlčoušková J, Paruch K, Nevolová Š, Damborsky J, Hampl A, Jaros J. Geometric Control of Cell Behavior by Biomolecule Nanodistribution. ACS Biomater Sci Eng. 2022 Nov 14;8(11):4789-4806. doi: 10.1021/acsbiomaterials.2c00650. Epub 2022 Oct 6. PMID: 36202388; PMCID: PMC9667466.
Khirsariya P, Pospíšil P, Maier L, Boudný M, Babáš M, Kroutil O, Mráz M, Vácha R, Paruch K. Synthesis and Profiling of Highly Selective Inhibitors of Methyltransferase DOT1L Based on Carbocyclic C-Nucleosides. J Med Chem. 2022 Apr 14;65(7):5701-5723. doi: 10.1021/acs.jmedchem.1c02228. Epub 2022 Mar 18. PMID: 35302777.
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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.
Institute of Molecular Genetics of the Czech Academy of Sciences, Prague
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Dvořák, M, Dvořáková M, Karafiát V, Štursa J, Werner L. Derivatives of phospholipids and their use as pharmaceuticals
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Grekov I, Pombinho A, Šíma M, Kobets T, Bartůněk P, Lipoldová M. Pharmaceutical composition consisting of diphenyleneiodonium for treating diseases caused by the parasites belonging to the family trypanosomatidae
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Kotora M, Prchalová E, Adamski J, Moller G, Stěpánek O, Bartůněk P, Sedlák D, Hajduch M, Dzubak P. 15β-substituted estrone derivatives as selective inhibitors of 17β-hydroxysteoid dehydrogenases
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Stoniš J, Mikeš I, Doležalová A, Králová J, Jakubek M, Martásek P, Král V. Orodispersible tablet with bioavailable curcumin and its use.
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Havlík M, Bříza T, Kaplánek R, Králová J, Martásek P, Král V. The coumarin derivative of the Tröger base with cyanine substitution and its use
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Staňková P, Štěpán J, Demele J, Slováček Z, Králová J, Martásek P, Král V. A supramolecular complex of an oxycellulose matrix with a taxol derivative with sequential release of the taxol derivative and its use.
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Staňková P, Štěpán J, Demele J, Slováček Z, Králová J, Martásek P, Král V. A supramolecular complex of an oxycellulose matrix with an anthracycline cytostatic with sequential release of an anthracycline cytostatic and its use.
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