Development of a group of non-basic ligands of serotonin receptor 5-HT7, derivatives of 2-(6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl)-N-phenylacetamide, with improved metabolic stability
2018/28/C/NZ7/00145
Keywords
Descriptors
- NZ7_14: Farmacja, farmakoterapia, farmakologia
- NZ2_7: Bioinformatyka
- ST6_11: Uczenie maszynowe, statystyczne przetwarzanie danych i zastosowanie w przetwarzaniu sygnałów
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
Voivodeship: małopolskie
Principal investigator (from the host institution)
Number of co-investigators in the project: 2
Call
SONATINA 2 – announced on 2017-12-15
- Amount awarded
- 790 877 PLN
- Project start date
- 2018-10-15
- Project end date
- 2021-10-14
- Project duration
- 36 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 (6)
-
Low Basicity as a Characteristic for Atypical Ligands of Serotonin Receptor 5-HT2
- Authors:
- Podlewska, S..; Bugno, R.; Lacivita, E.; Leopoldo, M.; Bojarski, A.J.; Handzlik, J.
- Academic press:
- International Journal of Molecular Sciences (year: 2021, volume: 22, pages: 1035), Publisher: MDPI
- Status:
- Published
- DOI:
- 10.3390/ijms22031035 – link to the publication
-
How can SHAP values help to shape metabolic stability of chemical compounds?
- Authors:
- Wojtuch, A.; Jankowski, R.; Podlewska, S.
- Academic press:
- Journal of Cheminformatics (year: 2021, volume: 13, pages: 74), Publisher: Springer Nature
- Status:
- Published
- DOI:
- 10.1186/s13321-021-00542-y – link to the publication
-
Similar, or dissimilar, that is the question. How different are methods for comparison of compounds similarity?
- Authors:
- Rajda, K.; Podlewska, S.
- Academic press:
- Computational Biology and Chemistry (year: 2020, volume: 88, pages: 107367), Publisher: Elsevier
- Status:
- Published
- DOI:
- 10.1016/j.compbiolchem.2020 – link to the publication
-
Compound activity prediction – how sure can we be about ML methods-based evaluation
- Authors:
- Sieradzki, I.; Leśniak, D.; Podlewska, S.
- Academic press:
- Molecules (year: 2020, volume: 25, pages: 1452), Publisher: MDPI
- Status:
- Published
- DOI:
- 10.3390/molecules25061452 – link to the publication
-
Development of new methods needs proper evaluation – benchmarking sets for machine learning experiments for class A GPCRs
- Authors:
- Leśniak, D.; Podlewska, S.; Jastrzębski, S.; Sieradzki, I.; Bojarski, A.J.; Tabor, J.
- Academic press:
- Journal of Chemical Information and Modeling (year: 2019, volume: 59, pages: 4974-4992), Publisher: American Chemical Society
- Status:
- Published
- DOI:
- 10.1021/acs.jcim.9b00689 – link to the publication
-
In silico and in vitro studies on interaction of novel non-imidazole histamine H3R antagonists with CYP3A4
- Authors:
- Podlewska, S.; Latacz, G.; Łażewska, D.; Kieć-Kononowicz, K.; Handzlik, J.
- Academic press:
- Bioorganic and Medicinal Chemistry Letters (year: 2020, volume: 30, pages: 127147), Publisher: Elsevier
- Status:
- Published
- DOI:
- 10.1016/j.bmcl.2020.127147 – link to the publication
Articles in post-conference publications (1)
-
Low basicity as a characteristic for atypical serotonin receptor ligands
- Authors:
- Podlewska, S.; Lacivita, E.; Leopoldo, M.; Bojarski, A.J.; Handzlik, J.
- Conference:
- Third Ernest Meeting - Signal Transduction: From the genomic to the systems level, (year: 2020, pages: 76), Publisher: European Research Network on Signal Transduction (ERNEST) COST Action CA18133A
- Date:
- conference 2020-10-12-2020-10-14
- Status:
- Published