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 new homology model of H3 histaminic receptor - structure, interaction with ligand

2014/15/N/NZ7/02965

Keywords:

molecular modeling homology models H3 histaminic receptor histamine H3 receptor ligands

Descriptors:

  • NZ7_14: Pharmacy, pharmacotherapy, pharmacology
  • NZ2_8: Computational biology
  • NZ2_10: Biological systems analysis, modelling and simulation

Panel:

NZ7 - Diagnostic tools, therapies and public health: public health, epidemiology, environmental health risks and occupational medicine, medical ethics, drug discovery and therapies, pharmacology

Host institution :

Uniwersytet Jagielloński - Collegium Medicum, Collegium Medicum, Wydział Farmaceutyczny

woj. małopolskie

Other projects carried out by the institution 

Principal investigator (from the host institution):

Jakub Jończyk 

Number of co-investigators in the project: 2

Call: PRELUDIUM 8 - announced on 2014-09-15

Amount awarded: 149 984 PLN

Project start date (Y-m-d): 2015-09-22

Project end date (Y-m-d): 2018-09-21

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

Project status: Project settled

Equipment purchased [PL]

  1. Dysk zewnętrzy o pojemności 2TB (400 PLN)
  2. Dysk Samsung SSD M.2 (4 900 PLN)
  3. Laptop (3 600 PLN)
  4. Wieloprocesorowa stacja robocza z UPS i monitorem (40 000 PLN)

Information in the final report

  • Publication in academic press/journals (2)
  • Articles in post-conference publications (4)
  1. Hybrid approach to structure modeling of the histamine H3 receptor: Multi-level assessment as a tool for model verification
    Authors:
    Jakub Jończyk, Barbara Malawska, Marek Bajda
    Academic press:
    PLOS ONE (rok: 2017, tom: 12, strony: e0186108), Wydawca: PLOS
    Status:
    Published
    DOI:
    10.1371/journal.pone.0186108 - link to the publication
  2. Search for multifunctional agents against Alzheimer's disease among non-imidazole histamine H3 receptor ligands. In vitro and in vivo pharmacological evaluation and computational studies of piperazine derivatives
    Authors:
    Jakub Jończyk, Krzysztof Lodarski, Marek Staszewski, Justyna Godyń, Paula Zaręba, Ondrej Soukup, Jana Janočková, Jan Korabecny, Kinga Salat, Natalia Malikowska-Racia, Michalina Hebda, Natalia Szałaj, Barbara Filipek, Krzysztof Walczyński, Barbara Malawska, Marek Bajda
    Academic press:
    Bioorganic Chemistry (rok: 2019, tom: 90, strony: 103084), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.bioorg.2019.103084 - link to the publication
  1. LIGAND DOCKING AS A TOOL FOR VERIFICATION OF HOMOLOGY MODELS ON THE EXAMPLE OF HISTAMINE H3 RECEPTOR
    Authors:
    Jakub Jończyk, Marek Bajda, Barbara Malawska
    Conference:
    21st European Symposium on Quantitative Structure-Activity Relationship (rok: 2016, ), Wydawca: Organizing committee of 21st European Symposium on Quantitative Structure-Activity Relationship
    Data:
    konferencja 4-8.09.2016
    Status:
    Published
  2. IDENTIFICATION OF MULTI-TARGET DIRECTED LIGANDS WITH PROCOGNITIVE ACTIVITY AMONG NON-IMIDAZOLE H3 RECEPTOR ANTAGONISTS
    Authors:
    Jończyk Jakub, Lodarski Krzysztof, Godyń Justyna, Zaręba Paula, Malawska Barbara, Sałat Kinga, Malikowska Natalia, Staszewski Marek, Walczyński Krzysztof, Bajda Marek
    Conference:
    17th Hellenic Symposium on Medicinal Chemistry (rok: 2017, ), Wydawca: University of Thessaloniki
    Data:
    konferencja 1-3 Czerwca
    Status:
    Published
  3. Computational and pharmacological evaluation of piperazine derivatives in search of novel, multifunctional, anti-Alzheimer's agents
    Authors:
    Jakub Jończyk, Krzysztof Lodarski, Marek Staszewski, Justyna Godyń, Paula Zaręba, Ondrej Soukup, Jana Janočková, Jan Korabecny, Kinga Salat, Natalia Malikowska-Racia, Michalina Hebda, Natalia Szałaj, Barbara Filipek, Krzysztof Walczyński, Barbara Malawska, Marek Bajda
    Conference:
    48th Meeting of EHRS (rok: 2019, ), Wydawca: Organizing committee of 48th Meeting of EHRS
    Data:
    konferencja 15-18 Maja
    Status:
    Published
  4. HUMAN HISTAMINE H3 RECEPTOR: HOMOLOGY MODELING AS A TOOL TOWARDS A BETTER UNDERSTANDING OF THE PUZZLING RECEPTOR
    Authors:
    Jakub Jończyk, Marek Bajda, Barbara Malawska
    Conference:
    V Meeting of the Paul Ehrlich MedChem PhD Network (rok: 2015, ), Wydawca: Organizing committee of V Meeting of the Paul Ehrlich MedChem PhD Network
    Data:
    konferencja 3-5.07.2015
    Status:
    Published

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