Search results

  1. 1.
    0572565 - ÚOCHB 2024 RIV US eng J - Journal Article
    Skácel, Jan - Djukic, Stefan - Baszczyňski, Ondřej - Kalčic, Filip - Bílek, Tadeáš - Chalupský, Karel - Kozák, Jaroslav - Dvořáková, Alexandra - Tloušťová, Eva - Kráľová, Zuzana - Šmídková, Markéta - Voldřich, Jan - Rumlová, M. - Pachl, Petr - Brynda, Jiří - Vučková, Tereza - Fábry, Milan - Snášel, Jan - Pichová, Iva - Řezáčová, Pavlína - Mertlíková-Kaiserová, Helena - Janeba, Zlatko
    Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
    Journal of Medicinal Chemistry. Roč. 66, č. 10 (2023), s. 6652-6681. ISSN 0022-2623. E-ISSN 1520-4804
    R&D Projects: GA TA ČR(CZ) TN01000013; GA MŠMT(CZ) EF16_019/0000729; GA MŠMT LX22NPO5102
    Institutional support: RVO:61388963
    Keywords : multisubstrate analog inhibitors * transition-state analog * human erythrocytes
    OECD category: Organic chemistry
    Impact factor: 7.3, year: 2022
    Method of publishing: Open access
    https://doi.org/10.1021/acs.jmedchem.2c02097
    Permanent Link: https://hdl.handle.net/11104/0343213
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    10.1021acs.jmedchem.2c02097.pdf15.7 MBPublisher’s postprintopen-access
     
     
  2. 2.
    0569100 - ÚOCHB 2024 RIV GB eng J - Journal Article
    Marinovic, M. A. - Bekic, S. S. - Kugler, Michael - Brynda, Jiří - Škerlová, Jana - Skoric, D. D. - Řezáčová, Pavlína - Petri, E. T. - Celic, A. S.
    X-ray structure of human aldo-keto reductase 1C3 in complex with a bile acid fused tetrazole inhibitor: experimental validation, molecular docking and structural analysis.
    RSC MEDICINAL CHEMISTRY. Roč. 14, č. 2 (2023), s. 341-355. E-ISSN 2632-8682
    R&D Projects: GA MŠMT LX22NPO5102
    Institutional support: RVO:61388963
    Keywords : prostaglandin-F synthase * crystal structures * CCP4 suite
    OECD category: Biochemistry and molecular biology
    Impact factor: 4.1, year: 2022
    Method of publishing: Open access
    https://doi.org/10.1039/D2MD00387B
    Permanent Link: https://hdl.handle.net/11104/0340422
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    10.1039d2md00387b.pdf02.6 MBPublisher’s postprintopen-access
     
     
  3. 3.
    0567034 - ÚOCHB 2024 RIV GB eng J - Journal Article
    Fanfrlík, Jindřich - Brynda, Jiří - Kugler, Michael - Lepšík, Martin - Pospíšilová, Klára - Holub, Josef - Hnyk, Drahomír - Nekvinda, Jan - Grüner, Bohumír - Řezáčová, Pavlína
    B-H⋯π and C-H⋯π interactions in protein-ligand complexes: carbonic anhydrase II inhibition by carborane sulfonamides.
    Physical Chemistry Chemical Physics. Roč. 25, č. 3 (2023), s. 1728-1733. ISSN 1463-9076. E-ISSN 1463-9084
    R&D Projects: GA MŠMT(CZ) EF16_019/0000729; GA MŠMT LX22NPO5102; GA ČR(CZ) GA21-14409S
    Institutional support: RVO:61388963 ; RVO:61388980
    Keywords : ⋯π * hydrogen bond * dispersion
    OECD category: Physical chemistry; Inorganic and nuclear chemistry (UACH-T)
    Impact factor: 3.3, year: 2022
    Method of publishing: Open access
    https://doi.org/10.1039/D2CP04673C
    Permanent Link: https://hdl.handle.net/11104/0338302
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    10.1039D2CP04673C.pdf22 MBPublisher’s postprintopen-access
     
     
  4. 4.
    0563164 - ÚOCHB 2023 RIV NL eng J - Journal Article
    Radilová, Kateřina - Zima, Václav - Král, Michal - Machara, Aleš - Majer, Pavel - Hodek, Jan - Weber, Jan - Brynda, Jiří - Strmeň, Timotej - Konvalinka, Jan - Kožíšek, Milan
    Thermodynamic and structural characterization of an optimized peptide-based inhibitor of the influenza polymerase PA-PB1 subunit interaction.
    Antiviral Research. Roč. 208, December (2022), č. článku 105449. ISSN 0166-3542. E-ISSN 1872-9096
    R&D Projects: GA MŠMT(CZ) EF16_019/0000729; GA MŠMT(CZ) LX22NPO5103
    Institutional support: RVO:61388963
    Keywords : antiviral peptides * influenza A polymerase * protein-protein interaction * AlphaScreen * isothermal titration calorimetry
    OECD category: Biochemistry and molecular biology
    Impact factor: 7.6, year: 2022
    Method of publishing: Open access
    https://doi.org/10.1016/j.antiviral.2022.105449
    Permanent Link: https://hdl.handle.net/11104/0335206
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    10.1016j.antiviral.2022.105449.pdf56.4 MBPublisher’s postprintopen-access
     
     
  5. 5.
    0563157 - ÚOCHB 2023 RIV US eng J - Journal Article
    Vavřina, Zdeněk - Perlíková, Pavla - Milisavljevič, Nemanja - Chevrier, Florian - Smola, Miroslav - Smith, Joshua - Dejmek, Milan - Havlíček, Vojtěch - Buděšínský, Miloš - Liboska, Radek - Vaneková, Lenka - Brynda, Jiří - Bouřa, Evžen - Řezáčová, Pavlína - Hocek, Michal - Birkuš, Gabriel
    Design, Synthesis, and Biochemical and Biological Evaluation of Novel 7-Deazapurine Cyclic Dinucleotide Analogues as STING Receptor Agonists.
    Journal of Medicinal Chemistry. Roč. 65, č. 20 (2022), s. 14082-14103. ISSN 0022-2623. E-ISSN 1520-4804
    R&D Projects: GA MŠMT LX22NPO5102; GA MŠMT(CZ) EF16_019/0000729
    Institutional support: RVO:61388963
    Keywords : GMP-AMP synthase * interferon genes * adapter protein
    OECD category: Biochemistry and molecular biology
    Impact factor: 7.3, year: 2022
    Method of publishing: Open access
    https://doi.org/10.1021/acs.jmedchem.2c01305
    Permanent Link: https://hdl.handle.net/11104/0335201
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    10.1021acs.jmedchem.2c01305.pdf56.9 MBPublisher’s postprintopen-access
     

    Research data: PDB, PDB, PDB
     
  6. 6.
    0553871 - ÚOCHB 2023 RIV GB eng J - Journal Article
    Benýšek, Jakub - Buša, Michal - Rubešová, Petra - Fanfrlík, Jindřich - Lepšík, Martin - Brynda, Jiří - Matoušková, Zuzana - Bartz, U. - Horn, Martin - Gütschow, M. - Mareš, Michael
    Highly potent inhibitors of cathepsin K with a differently positioned cyanohydrazide warhead: structural analysis of binding mode to mature and zymogen-like enzymes.
    Journal of Enzyme Inhibition and Medicinal Chemistry. Roč. 37, č. 1 (2022), s. 515-526. ISSN 1475-6366. E-ISSN 1475-6374
    R&D Projects: GA MŠMT(CZ) EF16_019/0000729
    Institutional support: RVO:61388963
    Keywords : Cathepsin K * protease inhibitor * cyanohydrazide warhead * azadipeptide nitrile * crystal structure
    OECD category: Biochemistry and molecular biology
    Impact factor: 5.6, year: 2022
    Method of publishing: Open access
    https://doi.org/10.1080/14756366.2021.2024527
    Permanent Link: http://hdl.handle.net/11104/0328551
     
     
  7. 7.
    0548688 - ÚOCHB 2022 RIV GB eng J - Journal Article
    Šoltysová, Markéta - Sieglová, Irena - Fábry, M. - Brynda, Jiří - Škerlová, Jana - Řezáčová, Pavlína
    Structural insight into DNA recognition by bacterial transcriptional regulators of the SorC/DeoR family.
    Acta Crystallographica Section D-Structural Biology. Roč. 77, č. 11 (2021), s. 1411-1424. ISSN 2059-7983. E-ISSN 2059-7983
    R&D Projects: GA MŠMT(CZ) EF16_019/0000729
    Institutional support: RVO:61388963
    Keywords : SorC/DeoR family * protein–DNA complexes * transcription repressors * Bacillus subtilis * deoxyribonucleoside regulator bsDeoR * gene regulator bsCggR * carbohydrate catabolism
    OECD category: Biochemistry and molecular biology
    Impact factor: 5.699, year: 2021
    Method of publishing: Limited access
    https://doi.org/10.1107/S2059798321009633
    Permanent Link: http://hdl.handle.net/11104/0324739
     
     
  8. 8.
    0544791 - ÚOCHB 2022 RIV FR eng J - Journal Article
    Šimková, Adéla - Ormsby, Tereza - Sidej, Natan - Poštová Slavětínská, Lenka - Brynda, Jiří - Beranová, Jana - Šácha, Pavel - Majer, Pavel - Konvalinka, Jan
    Structure-activity relationship and biochemical evaluation of novel fibroblast activation protein and prolyl endopeptidase inhibitors with α-ketoamide warheads.
    European Journal of Medicinal Chemistry. Roč. 224, Nov 15 (2021), č. článku 113717. ISSN 0223-5234. E-ISSN 1768-3254
    R&D Projects: GA ČR(CZ) GA19-10280S; GA MZd(CZ) NV15-31379A; GA MŠMT(CZ) EF16_019/0000729; GA MŠMT(CZ) LM2015064
    Institutional support: RVO:61388963
    Keywords : fibroblast activation protein * seprase * FAP inhibitor * serine protease inhibition * prolyl endopeptidase * α-Ketoamide inhibitor
    OECD category: Medicinal chemistry
    Impact factor: 7.088, year: 2021
    Method of publishing: Open access
    https://doi.org/10.1016/j.ejmech.2021.113717
    Permanent Link: http://hdl.handle.net/11104/0321598
     
     
  9. 9.
    0544040 - ÚOCHB 2022 RIV CH eng J - Journal Article
    Reiberger, Róbert - Radilová, Kateřina - Král, Michal - Zima, Václav - Majer, Pavel - Brynda, Jiří - Dračínský, Martin - Konvalinka, Jan - Kožíšek, Milan - Machara, Aleš
    Synthesis and In Vitro Evaluation of C-7 and C-8 Luteolin Derivatives as Influenza Endonuclease Inhibitors.
    International Journal of Molecular Sciences. Roč. 22, č. 14 (2021), č. článku 7735. E-ISSN 1422-0067
    R&D Projects: GA MŠMT(CZ) EF16_019/0000729; GA MŠMT(CZ) LM2018133
    Institutional support: RVO:61388963
    Keywords : bio-isosterism * cross-coupling * endonuclease inhibitor * flavonoids * influenza * Mannich reaction * RNA polymerase
    OECD category: Biochemistry and molecular biology
    Impact factor: 6.208, year: 2021
    Method of publishing: Open access
    https://doi.org/10.3390/ijms22147735
    Permanent Link: http://hdl.handle.net/11104/0321100
     
     
  10. 10.
    0543164 - ÚOCHB 2022 RIV DE eng J - Journal Article
    Kugler, Michael - Nekvinda, Jan - Holub, Josef - El Anwar, Suzan - Das, V. - Šícha, Václav - Pospíšilová, Klára - Fábry, M. - Král, V. - Brynda, Jiří - Kašička, Václav - Hajdúch, M. - Řezáčová, Pavlína - Grüner, Bohumír
    Inhibitors of CA IX Enzyme Based on Polyhedral Boron Compounds.
    Chembiochem. Roč. 22, č. 18 (2021), s. 2741-2761. ISSN 1439-4227. E-ISSN 1439-7633
    R&D Projects: GA ČR(CZ) GA18-27648S; GA TA ČR(CZ) TE01020028; GA MŠMT(CZ) LM2015064
    Institutional support: RVO:61388963 ; RVO:61388980
    Keywords : carbonic anhydrase * carborane * cobalt bis(dicarbollide) * crystallography * enzyme inhibition * SAR studies
    OECD category: Organic chemistry; Inorganic and nuclear chemistry (UACH-T)
    Impact factor: 3.468, year: 2021
    Method of publishing: Limited access
    https://doi.org/10.1002/cbic.202100121
    Permanent Link: http://hdl.handle.net/11104/0320438
     
     

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