Projects funded by the NCN

Information on the principal investigator and host institution

Information of the project and the call

Keywords

Equipment

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Study of ligand binding and activation processes of formyl, opioid and cannabinoid G-protein-coupled receptors

2011/03/B/NZ1/03204

Keywords:

GPCRs formyl receptors opioid receptors cannabinoid receptors activation processes molecular switches.

Descriptors:

  • NZ1_4: Structural biology
  • NZ2_10: Biological systems analysis, modelling and simulation
  • NZ2_8: Computational biology

Panel:

NZ1 - Molecular biology, structural biology, biotechnology: molecular biology, structural biology, biotechnology

Host institution :

Uniwersytet Warszawski, Wydział Chemii

woj. mazowieckie

Other projects carried out by the institution 

Principal investigator (from the host institution):

prof. Sławomir Filipek 

Number of co-investigators in the project: 7

Call: OPUS 2 - announced on 2011-09-15

Amount awarded: 506 000 PLN

Project start date (Y-m-d): 2012-08-27

Project end date (Y-m-d): 2015-08-26

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

Project status: Project settled

Equipment purchased [PL]

  1. Licencja oprogramowania LigandScout (15 239 PLN)
  2. komputer małej mocy.
  3. Licencja oprogramowania Schrodinger (12 294 PLN)
  4. Wysokowydajny serwer GPU (150 000 PLN)
  5. Procesory Intel XEON (33 148 PLN)

Information in the final report

  • Publication in academic press/journals (9)
  1. Activation of G-protein-coupled receptors correlates with the formation of a continuous internal water pathway
    Authors:
    S. Yuan, S. Filipek, K. Palczewski, H. Vogel
    Academic press:
    Nature Communications (rok: 2014, tom: 5, strony: 4733), Wydawca: Nature Publishing Group
    Status:
    Published
    DOI:
    10.1038/ncomms5733 - link to the publication
  2. G Protein-Coupled Receptors – Recent Advances
    Authors:
    D. Latek, A. Modzelewska, B. Trzaskowski, K. Palczewski, S. Filipek
    Academic press:
    Acta Biochim. Pol. (rok: 2012, tom: 59, strony: 515-529), Wydawca: Polish Biochemical Society
    Status:
    Published
    DOI:
    http://www.actabp.pl/pdf/4_2012/515.pdf - link to the publication
  3. Towards improved quality of GPCR models by usage of multiple templates and profile-profile comparison
    Authors:
    D. Latek, P. Pasznik, T. Carlomagno, S. Filipek
    Academic press:
    PLOS ONE (rok: 2013, tom: 8, strony: e56742), Wydawca: PLOS
    Status:
    Published
    DOI:
    10.1371/journal.pone.0056742 - link to the publication
  4. W246(6.48) opens a gate for a continuous intrinsic water pathway during activation of the adenosine A2A receptor
    Authors:
    S. Yuan, Z. Hu, S. Filipek, H. Vogel
    Academic press:
    Angew. Chem. Int. Ed. (rok: 2015, tom: 54, strony: 556-559), Wydawca: Wiley
    Status:
    Published
    DOI:
    10.1002/anie.201409679 - link to the publication
  5. The mechanism of ligand-induced activation or inhibition of mu- and kappa-opioid receptors
    Authors:
    S. Yuan, K. Palczewski, Q. Peng, M. Kolinski, H. Vogel, S. Filipek
    Academic press:
    Angew. Chem. Int. Ed. (rok: 2015, tom: 54, strony: 7560-7563), Wydawca: Wiley
    Status:
    Published
    DOI:
    10.1002/anie.201501742 - link to the publication
  6. Lipid receptor S1P1 activation scheme concluded from microsecond all-atom molecular dynamics simulations
    Authors:
    S. Yuan, R. Wu, D. Latek, B. Trzaskowski, S. Filipek
    Academic press:
    PLOS Comp. Biol. (rok: 2013, tom: 9, strony: e1003261), Wydawca: PLOS
    Status:
    Published
    DOI:
    10.1371/journal.pcbi.1003261 - link to the publication
  7. Hydrophobic ligands entry and exit pathways of CB1 cannabinoid receptor
    Authors:
    J. Jakowiecki, S. Filipek
    Academic press:
    J. Chem. Inf. Model. (rok: 2016, tom: 56, strony: 2457-2466), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.jcim.6b00499 - link to the publication
  8. Non-peptide ligand binding to the formyl peptide receptor FPR2—A comparison to peptide ligand binding modes
    Authors:
    T.M. Stepniewski, S. Filipek
    Academic press:
    Bioorganic & Medicinal Chemistry (rok: 2015, tom: 23, strony: 4072–4081), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.bmc.2015.03.062 - link to the publication
  9. The Role of Water and Sodium Ions in the Activation of the mu-Opioid Receptor
    Authors:
    S. Yuan, H. Vogel, S. Filipek
    Academic press:
    Angew. Chem. Int. Ed. (rok: 2013, tom: 52, strony: 10112-10115), Wydawca: Wiley
    Status:
    Published
    DOI:
    10.1002/anie.201302244 - link to the publication

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