Projects funded by the NCN

Information on the principal investigator and host institution

Information of the project and the call

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Thermodynamics of halogen bonding in the bio-molecular cage

2017/25/B/ST4/01613

Keywords:

halogen bond thermodynamics combinatorial chemistry (bio)molecular cage

Descriptors:

  • ST4_13: Solid-state chemistry, surface physicochemistry
  • NZ1_3: Biophysics

Panel:

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

Host institution :

Instytut Biochemii i Biofizyki Polskiej Akademii Nauk

woj. 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 (Y-m-d): 2018-01-15

Project end date (Y-m-d): 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 (220 000 PLN)
  2. Średniej klasy laptop z podstawowym oprogramowaniem (8 000 PLN)
  3. Oprogramowanie - Origin Pro (2 050 PLN)

Information in the final report

  • Publication in academic press/journals (7)
  • Articles in post-conference publications (6)
  1. 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 (rok: 2021, tom: 125, strony: 2491-2503), Wydawca: ACS
    Status:
    Published
    DOI:
    10.1021/acs.jpcb.0c10264 - link to the publication
  2. 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 (rok: 2021, tom: 26, strony: 3163), Wydawca: MDPI
    Status:
    Published
    DOI:
    10.3390/molecules26113163 - 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 (rok: 2021, tom: 11, strony: 23701), Wydawca: Nature Publishing Group
    Status:
    Published
    DOI:
    10.1038/s41598-021-03136-8 - link to the publication
  4. 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 (rok: 2022, tom: 12, strony: 18964), Wydawca: Nature Publishing Group
    Status:
    Published
    DOI:
    10.1038/s41598-022-23611-0 - link to the publication
  5. 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 (rok: 2020, tom: 72, strony: 1203-1210), Wydawca: WILEY
    Status:
    Published
    DOI:
    10.1002/iub.2257 - link to the publication
  6. 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 (rok: 2019, tom: 293, strony: 1-11 (111527)), Wydawca: ELSEVIER
    Status:
    Published
    DOI:
    10.1016/j.molliq.2019.111527 - link to the publication
  7. 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 (rok: 2020, tom: 72, strony: 1250-1261), Wydawca: WILEY
    Status:
    Published
    DOI:
    10.1002/iub.2298 - link to the publication
  1. 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 (rok: 2019, ), Wydawca: Wiley (FEBS OpenBio)
    Data:
    konferencja 43652
    Status:
    Published
  2. 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 (rok: 2018, ), Wydawca: Institute of Physical Chemistry
    Data:
    konferencja 11-14 VI 2018
    Status:
    Published
  3. 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. (rok: 2018, ), Wydawca: Universitat Jaume I
    Data:
    konferencja 20-22.06.18
    Status:
    Published
  4. 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 (rok: 2019, ), Wydawca: Institute of Biochemistry and Biophysics Polish Academy of Science
    Data:
    konferencja 43722
    Status:
    Published
  5. 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 (rok: 2019, ), Wydawca: Institute of Biochemistry and Biophysics Polish Academy of Science
    Data:
    konferencja 43722
    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 (rok: 2022, ), Wydawca: Universidad del Pais Vasco
    Data:
    konferencja 12-15 September
    Status:
    Published

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