Projects funded by the NCN

Information on the principal investigator and host institution

Information of the project and the call

Keywords

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The mechanism of ligand binding and the conformational changes in the beta2-adrenergic receptor molecule

2013/09/D/NZ2/02992

Keywords:

GPCR beta2-adrenergic receptor drug-receptor interaction receptor activation conformational changes molecular modeling

Descriptors:

  • NZ2_10: Biological systems analysis, modelling and simulation
  • ST4_15: Colloid chemistry
  • NZ1_1: Molecular biology

Panel:

NZ2 - Genetics, genomics: molecular genetics, genomics, proteomics, bioinformatics, systems biology, genetic epidemiology

Host institution :

Uniwersytet Medyczny w Lublinie, Wydział Farmaceutyczny z Oddziałem Analityki Medycznej

woj. lubelskie

Other projects carried out by the institution 

Principal investigator (from the host institution):

dr Anita Płazińska 

Number of co-investigators in the project: 5

Call: SONATA 5 - announced on 2013-03-15

Amount awarded: 404 750 PLN

Project start date (Y-m-d): 2014-02-20

Project end date (Y-m-d): 2017-02-19

Project duration:: 36 months (the same as in the proposal)

Project status: Project settled

Equipment purchased [PL]

  1. Serwer (HPC) (17 486 PLN)
  2. Laptop z oprogramowaniem (5 000 PLN)
  3. Wirówka laboratoryjna.
  4. Suszarka labolatoryjna.
  5. Chłodziarka laboratoryjna.
  6. Komputer stacjonarny z oprogramowaniem (5 000 PLN)
  7. Łaźnia ultradźwiękowa (myjka otnb/4/2015).

Information in the final report

  • Publication in academic press/journals (4)
  • Articles in post-conference publications (1)
  1. Ligand-induced action of the W2866.48 rotamer toggle switch in β2-adrenergic receptor
    Authors:
    Anita Plazinska, Wojciech Plazinski, Rafal Luchowski, Artur Wnorowski, Wojciech Grudzinski, Wieslaw I. Gruszecki
    Academic press:
    Physical Chemistry Chemical Physics (rok: 2017, tom: 20, strony: 581-594), Wydawca: Wiley
    Status:
    Published
    DOI:
    10.1002/jcc.23563 - link to the publication
  2. Agonist binding by the β2-adrenergic receptor: an effect of receptor conformation on ligand association-dissociation characteristics.
    Authors:
    Plazinska A, Plazinski W, Jozwiak K.
    Academic press:
    European Biophysics Journal (rok: 2015, tom: 44, strony: 149-163), Wydawca: Springer
    Status:
    Published
    DOI:
    10.1007/s00249-015-1010-4 - link to the publication
  3. Fast, Metadynamics-Based Method for Prediction of the Stereochemistry-Dependent Relative Free Energies of Ligand–Receptor Interactions.
    Authors:
    Plazinska A., Plazinski W., Jozwiak K.
    Academic press:
    Journal of Computational Chemistry (rok: 2014, tom: 35, strony: 876–882), Wydawca: Wiley Online Library
    Status:
    Published
    DOI:
    10.1002/jcc.23563. - link to the publication
  4. Stereoselective binding of agonists to the β2-adrenergic receptor: insights into molecular details and thermodynamics from molecular dynamics simulations.
    Authors:
    Plazinska A, Plazinski W.
    Academic press:
    Mol Biosyst. (rok: 2017, tom: brak, strony: brak), Wydawca: The Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/c6mb00814c - link to the publication
  1. Binding affinities of Gi and Gs proteins to the beta2-adrenergic receptor: insights from the coarse-grained molecular dynamics simulations
    Authors:
    A. Plazinska, W. Plazinski, M. Kolinski
    Conference:
    The International Conference on Computational Modeling & Simulation (ICCMS-2017) (rok: 2017, ), Wydawca: Faculty of Science, University of Colombo
    Data:
    konferencja 17-19.05.2017
    Status:
    Published

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