Projects funded by the NCN

Information on the principal investigator and host institution

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Novel approach in the search for asthma and COPD therapies - computer aided design of multi-target-directed ligands blocking PDE4B, PDE8A and TRPA1

2020/37/N/NZ7/02365

Keywords:

TRPA1 ion channel PDE4B PDE8A Multi-Target-Directed Ligands computer-aided drug design asthma COPD

Descriptors:

  • NZ7_014:
  • NZ5_007:

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

woj. małopolskie

Other projects carried out by the institution 

Principal investigator (from the host institution):

Alicja Aleksandra Gawalska 

Number of co-investigators in the project: 2

Call: PRELUDIUM 19 - announced on 2020-03-16

Amount awarded: 139 800 PLN

Project start date (Y-m-d): 2021-01-18

Project end date (Y-m-d): 2023-09-17

Project duration:: 32 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.

Information in the final report

  • Publication in academic press/journals (3)
  1. Structural modeling of TRPA1 ion channel - determination of the binding site for antagonists
    Authors:
    Alicja Gawalska, Marcin Kołaczkowski, Adam Bucki
    Academic press:
    Molecules (rok: 2022, tom: 27, strony: 3077), Wydawca: MDPI
    Status:
    Published
    DOI:
    10.3390/molecules27103077 - link to the publication
  2. Application of automated machine learning in the identification of multi-target-directed ligands blocking PDE4B, PDE8A, and TRPA1 with potential use in the treatment of asthma and COPD
    Authors:
    Alicja Gawalska, Natalia Czub, Michał Sapa, Marcin Kołaczkowski, Adam Bucki, Aleksander Mendyk
    Academic press:
    Molecular Informatics (rok: 2023, tom: 42, strony: 45853), Wydawca: Wiley
    Status:
    Published
    DOI:
    10.1002/minf.202200214 - link to the publication
  3. Structural modeling of TRPA1 ion channel - determination of the binding site for antagonists
    Authors:
    Alicja Gawalska, Marcin Kołaczkowski, Adam Bucki
    Academic press:
    Molecules (rok: 2022, tom: 27, strony: 3077), Wydawca: MDPI
    Status:
    Published
    DOI:
    10.3390/molecules27103077 - link to the publication

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