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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

Descriptors

  • NZ1_4: Biologia strukturalna
  • NZ2_10: Modelowanie i symulacje biologiczne
  • NZ2_8: Biologia obliczeniowa

Panel

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

Host institution

Uniwersytet Warszawski, Wydział Chemii

Voivodeship: mazowieckie

Other projects carried out by the institution »

Principal investigator (from the host institution)

prof. Sławomir Hubert 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
2012-08-27
Project end date
2015-08-26
Project duration
36 months (the same as in the proposal)
Project status
Project settled

Equipment purchased [PL]

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

Information in the final report

Publication in academic press/journals (9)

  1. 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. (year: 2013, volume: 9, pages: e1003261), Publisher: PLOS
    Status:
    Published
    DOI:
    10.1371/journal.pcbi.1003261 – link to the publication

  2. Hydrophobic ligands entry and exit pathways of CB1 cannabinoid receptor

    Authors:
    J. Jakowiecki, S. Filipek
    Academic press:
    J. Chem. Inf. Model. (year: 2016, volume: 56, pages: 2457-2466), Publisher: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.jcim.6b00499 – 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 (year: 2013, volume: 8, pages: e56742), Publisher: PLOS
    Status:
    Published
    DOI:
    10.1371/journal.pone.0056742 – link to the publication

  4. G Protein-Coupled Receptors – Recent Advances

    Authors:
    D. Latek, A. Modzelewska, B. Trzaskowski, K. Palczewski, S. Filipek
    Academic press:
    Acta Biochim. Pol. (year: 2012, volume: 59, pages: 515-529), Publisher: Polish Biochemical Society
    Status:
    Published
    DOI:
    link to the publication

  5. 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. (year: 2015, volume: 54, pages: 556-559), Publisher: Wiley
    Status:
    Published
    DOI:
    10.1002/anie.201409679 – link to the publication

  6. 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 (year: 2014, volume: 5, pages: 4733), Publisher: Nature Publishing Group
    Status:
    Published
    DOI:
    10.1038/ncomms5733 – link to the publication

  7. 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. (year: 2015, volume: 54, pages: 7560-7563), Publisher: Wiley
    Status:
    Published
    DOI:
    10.1002/anie.201501742 – link to the publication

  8. 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. (year: 2013, volume: 52, pages: 10112-10115), Publisher: Wiley
    Status:
    Published
    DOI:
    10.1002/anie.201302244 – link to the publication

  9. 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 (year: 2015, volume: 23, pages: 4072–4081), Publisher: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.bmc.2015.03.062 – link to the publication

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