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: Biologia obliczeniowa
- NZ2_010: Modelowanie i symulacje biologiczne
Panel
NZ2 – Genetics, genomics: molecular genetics, genomics, proteomics, bioinformatics, systems biology, genetic epidemiology
Host institution
Uniwersytet Warszawski, Wydział Chemii
Voivodeship: mazowieckie
Principal investigator (from the host institution)
Number of co-investigators in the project: 4
Call
OPUS 20 – announced on 2020-09-15
- Amount awarded
- 262 000 PLN
- Project start date
- 2021-07-20
- Project end date
- 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)
-
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 (year: 2023, volume: 15(2), pages: 516), Publisher: MDPI
- Status:
- Published
- DOI:
- 10.3390/pharmaceutics15020516 – link to the publication
-
Helix 8 in chemotactic receptors of the complement system
- Authors:
- Szymon Wisniewski, Paulina Dragan, Anna Makal, Dorota Latek
- Academic press:
- PLOS Computational Biology (year: 2022, volume: 18(7), pages: e1009994), Publisher: PLOS
- Status:
- Published
- DOI:
- 10.1371/journal.pcbi.1009994 – link to the publication
-
Signal Transduction by VIP and PACAP Receptors
- Authors:
- Ingrid Langer, Jérôme Jeandriens, Alain Couvineau, Swapnil Sanmukh, Dorota Latek
- Academic press:
- Biomedicines (year: 2022, volume: 10(2), pages: 406), Publisher: MDPI
- Status:
- Published
- DOI:
- 10.3390/biomedicines10020406 – link to the publication
-
Drug Repositioning For Allosteric Modulation of VIP and PACAP Receptors
- Authors:
- Ingrid Langer, Dorota Latek
- Academic press:
- Frontiers in Endocrinology (year: 2021, volume: 12, pages: 711906), Publisher: Frontiers
- Status:
- Published
- DOI:
- 10.3389/fendo.2021.711906 – link to the publication
-
Keras/TensorFlow in Drug Design for Immunity Disorders
- Authors:
- Paulina Dragan, Kavita Joshi, Alessandro Atzei, Dorota Latek
- Academic press:
- International Journal of Molecular Sciences (year: 2023, volume: N/A, pages: N/A), Publisher: Multidisciplinary Digital Publishing Institute
- Status:
- Published
- DOI:
- 10.3390/ijms241915009 – link to the publication