Projects funded by the NCN

Information on the principal investigator and host institution

Information of the project and the call

Keywords

Equipment

Delete all

Self-learning systems in the design of compounds modulating GPCR receptors activation.

2020/39/B/NZ2/00584

Keywords:

GPCR G protein-coupled receptors drug design drug selectivity GPCR receptor activation neural networks machine learning molecular descriptors molecular docking homology modeling molecular dynamics virtual screening agonist antagonist allostery orthostery chemokine receptors cannabinoid receptors glucagon receptors vasoactive intestinal polypeptide receptor 1 CCR2 CCR5 CB1 CB2 GCGR GLP-1R VPAC1

Descriptors:

  • NZ2_008:
  • NZ2_010:

Panel:

NZ2 - Genetics, genomics: molecular genetics, genomics, proteomics, bioinformatics, systems biology, genetic epidemiology

Host institution :

Uniwersytet Warszawski, Wydział Chemii

woj. mazowieckie

Other projects carried out by the institution 

Principal investigator (from the host institution):

dr hab. Dorota Latek 

Number of co-investigators in the project: 4

Call: OPUS 20 - announced on 2020-09-15

Amount awarded: 262 000 PLN

Project start date (Y-m-d): 2021-07-20

Project end date (Y-m-d): 2023-07-19

Project duration:: 24 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 (5)
  1. Keras/TensorFlow in Drug Design for Immunity Disorders
    Authors:
    Paulina Dragan, Kavita Joshi, Alessandro Atzei, Dorota Latek
    Academic press:
    International Journal of Molecular Sciences (rok: 2023, tom: N/A, strony: N/A), Wydawca: Multidisciplinary Digital Publishing Institute
    Status:
    Published
    DOI:
    10.3390/ijms241915009 - link to the publication
  2. Helix 8 in chemotactic receptors of the complement system
    Authors:
    Szymon Wisniewski, Paulina Dragan, Anna Makal, Dorota Latek
    Academic press:
    PLOS Computational Biology (rok: 2022, tom: 18(7), strony: e1009994), Wydawca: PLOS
    Status:
    Published
    DOI:
    10.1371/journal.pcbi.1009994 - link to the publication
  3. Signal Transduction by VIP and PACAP Receptors
    Authors:
    Ingrid Langer, Jérôme Jeandriens, Alain Couvineau, Swapnil Sanmukh, Dorota Latek
    Academic press:
    Biomedicines (rok: 2022, tom: 10(2), strony: 406), Wydawca: MDPI
    Status:
    Published
    DOI:
    10.3390/biomedicines10020406 - link to the publication
  4. Drug Repositioning For Allosteric Modulation of VIP and PACAP Receptors
    Authors:
    Ingrid Langer, Dorota Latek
    Academic press:
    Frontiers in Endocrinology (rok: 2021, tom: 12, strony: 711906), Wydawca: Frontiers
    Status:
    Published
    DOI:
    10.3389/fendo.2021.711906 - link to the publication
  5. Chemokine Receptors—Structure-Based Virtual Screening Assisted by Machine Learning
    Authors:
    Paulina Dragan, Matthew Merski, Szymon Wiśniewski, Swapnil Ganesh Sanmukh, Dorota Latek
    Academic press:
    Pharmaceutics (rok: 2023, tom: 15(2), strony: 516), Wydawca: MDPI
    Status:
    Published
    DOI:
    10.3390/pharmaceutics15020516 - link to the publication

O Narodowym Centrum Nauki

Finansowanie nauki

Współpraca zagraniczna

Centrum prasowe

Deklaracja dostępności
Przetwarzanie danych osobowych
Polityka cookies

Partnerzy