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Thermodynamics of halogen bonding in the bio-molecular cage

2017/25/B/ST4/01613

Keywords

Descriptors

  • ST4_13: Chemia fizyczna układów biologicznych
  • NZ1_3: Biofizyka

Panel

ST4 – Chemistry: physical chemistry/chemical physics, theoretical chemistry, analytical chemistry, inorganic chemistry, organic chemistry, method development

Host institution

Instytut Biochemii i Biofizyki PAN

Voivodeship: mazowieckie

Other projects carried out by the institution »

Principal investigator (from the host institution)

prof. Jarosław Poznański

Number of co-investigators in the project: 9

Call

OPUS 13 – announced on 2017-03-15

Amount awarded
1 398 000 PLN
Project start date
2018-01-15
Project end date
2022-10-14
Project duration
57 months (the same as in the proposal)
Project status
Project settled

Project description

Download the project description in a pdf file

Note — project descriptions were prepared by the authors of the applications themselves and placed in the system in an unchanged form.

Equipment purchased [PL]

  1. Aparatura umożliwiająca precyzyjne pomiary profili stabilności temperaturowej kompleksów bialko-ligand. Cost: 220 000 PLN
  2. Oprogramowanie - Origin Pro. Cost: 2 050 PLN
  3. Średniej klasy laptop z podstawowym oprogramowaniem. Cost: 8 000 PLN

Information in the final report

Publication in academic press/journals (7)

  1. Competition between electrostatic interactions and halogen bonding in the protein–ligand system: structural and thermodynamic studies of 5,6-dibromobenzotriazole-hCK2α complexes

    Authors:
    Winiewska-Szajewska M*, Czapinska H, Kaus-Drobek M, Fricke A, Mieczkowska K, Dadlez M, Bochtler M, Poznański J*
    Academic press:
    Scientific Reports (year: 2022, volume: 12, pages: 18964), Publisher: Nature Publishing Group
    Status:
    Published
    DOI:
    10.1038/s41598-022-23611-0 – link to the publication

  2. Halogen Atoms in the Protein−Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2

    Authors:
    Honorata Czapinska, Maria Winiewska-Szajewska, Anna Szymaniec-Rutkowska, Anna Piasecka, Matthias Bochtler, Jarosław Poznanski
    Academic press:
    Journal of Physical Chemistry B (year: 2021, volume: 125, pages: 2491-2503), Publisher: ACS
    Status:
    Published
    DOI:
    10.1021/acs.jpcb.0c10264 – link to the publication

  3. 5,6-diiodo-1H-benzotriazole – new TBBt analogue that minutely affects mitochondrial activity.

    Authors:
    Paprocki D,* Winiewska-Szajewska M, Speina E, Kucharczyk R, Poznański J*
    Academic press:
    Scientific Reports (year: 2021, volume: 11, pages: 23701), Publisher: Nature Publishing Group
    Status:
    Published
    DOI:
    10.1038/s41598-021-03136-8 – link to the publication

  4. Synthesis of novel halogenated heterocycles based on o-phenylenediamine and their interactions with the catalytic subunit of protein kinase CK2.

    Authors:
    Winiewska-Szajewska M, Maciejewska AM, Poznański J,* Paprocki D*
    Academic press:
    Molecules (year: 2021, volume: 26, pages: 3163), Publisher: MDPI
    Status:
    Published
    DOI:
    10.3390/molecules26113163 – link to the publication

  5. Does the partial molar volume of a solute reflect the free energy of hydrophobic solvation?

    Authors:
    Szymaniec-Rutkowska, A ; Bugajska, E ; Kasperowicz, S ; Mieczkowska, K; Maciejewska, AM ; Poznanski, J
    Academic press:
    JOURNAL OF MOLECULAR LIQUIDS (year: 2019, volume: 293, pages: 1-11 (111527)), Publisher: ELSEVIER
    Status:
    Published
    DOI:
    10.1016/j.molliq.2019.111527 – link to the publication

  6. The Halogenation of Natural Flavonoids, Baicalein and Chrysin, Enhances Their Affinity to Human Protein Kinase CK2.

    Authors:
    Marzec E, Świtalska M, Winiewska-Szajewska M, Wójcik J, Wietrzyk J, Maciejewska AM, Poznański J, Mieczkowski A
    Academic press:
    IUBMB life (year: 2020, volume: 72, pages: 1250-1261), Publisher: WILEY
    Status:
    Published
    DOI:
    10.1002/iub.2298 – link to the publication

  7. Thermodynamic contribution of iodine atom to the binding of heterogeneously polyhalogenated benzotriazoles by the catalytic subunit of human protein kinase CK2

    Authors:
    Marzec, Ewa; Poznanski, Jaroslaw; Paprocki, Daniel
    Academic press:
    IUBMB LIFE (year: 2020, volume: 72, pages: 1203-1210), Publisher: WILEY
    Status:
    Published
    DOI:
    10.1002/iub.2257 – link to the publication

Articles in post-conference publications (6)

  1. Thermal shift assay evaluates the binding of brominated benzotriazoles by rationally selected variants of the catalytic subunit of human protein kinase CK2.

    Authors:
    Bugajska E., Winiewska M., Poznański J.
    Conference:
    Polish Photoscience Seminar 2018 (year: 2018, pages: 33), Publisher: Institute of Physical Chemistry
    Date:
    conference 11-14 VI 2018
    Status:
    Published

  2. Thermodynamic contribution of iodine to protein-ligand interactions: synthesis of heterogeneously halogenated benzotriazoles and their binding to the catalytic subunit of human protein kinase CK2

    Authors:
    Ewa Bugajska, Jarosław Poznański, Daniel Paprocki
    Conference:
    2019 IUBMB Focused Meeting; 10th Inhibitors of Protein Kinases Conference joined with the 2nd Challenges in Molecular Biology, Biophysics and Biomedicine Meeting (year: 2019, pages: 38-39 (P03)), Publisher: Institute of Biochemistry and Biophysics Polish Academy of Science
    Date:
    conference 43722
    Status:
    Published

  3. Halogenation of natural flavonoids enhances their affinity to human protein kinase CK2

    Authors:
    Ewa Bugajska, Jarosław Poznański, Adam Mieczkowski
    Conference:
    2019 IUBMB Focused Meeting; 10th Inhibitors of Protein Kinases Conference joined with the 2nd Challenges in Molecular Biology, Biophysics and Biomedicine Meeting (year: 2019, pages: 54), Publisher: Institute of Biochemistry and Biophysics Polish Academy of Science
    Date:
    conference 43722
    Status:
    Published

  4. Halogen bonding in protein-ligand systems. Application of site-directed mutagenesis of the ATP binding site of the catalytic subunit of the protein kinase CK2.

    Authors:
    Bugajska E.
    Conference:
    6th International Iberian Biophysics Congress and X Iberoamerican Congress of Biophysics. (year: 2018, pages: S0), Publisher: Universitat Jaume I
    Date:
    conference 20-22.06.18
    Status:
    Published

  5. Does the ionic state of the solute affect organization of the solvation shell? Study of the pH-dependence of experimentally measured partial molar volume of 1Hbenzotriazole

    Authors:
    A. Stefaniuk, A. Szymaniec-Rutkowska, J. Poznanski
    Conference:
    44th FEBS Congress (year: 2019, pages: 423-424 (P-41-050)), Publisher: Wiley (FEBS OpenBio)
    Date:
    conference 43652
    Status:
    Published

  6. Isotope effect in solute-solvent interactions

    Authors:
    Anna Stefaniuk, Sylwester Gawinkowski, Barbara Golec, Aleksander Gorski, Jacek Waluk, Jarosław Poznański,
    Conference:
    24th International Conference on Horizons in Hydrogen Bond Research; Bilbao Spain 12-15 September 2022; poster (year: 2022, pages: 96), Publisher: Universidad del Pais Vasco
    Date:
    conference 12-15 September
    Status:
    Published

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