Computer-Aided Identification and Design of Ligands for Multi-Targeting Inhibition of a Molecular Acute Myeloid Leukemia Network
Overall, by integrating network and structural pharmacology with molecular modeling, we determined two complementary strategies with the potential to annihilate the AML network, one in the form of repurposable drug combinations and the other as a de novo synthesized triple-targeting agent. These target-drug interactions could be prioritized for preclinical and clinical testing toward precision medicine for AML.
Authors
- Reza Arshinchi Bonab
- Can Küçük (ORCID: https://orcid.org/0000-0001-5540-9012)
- Merve Uca (ORCID: https://orcid.org/0000-0003-3237-8959)
- Athanasia Pavlopoulou (ORCID: https://orcid.org/0000-0002-0815-3808)
- Bernhard M. Stadler (ORCID: https://orcid.org/0000-0002-6171-6921)
- Seyit Kale (ORCID: https://orcid.org/0000-0001-7903-8543)
- Seyedehsadaf Asfa (ORCID: https://orcid.org/0000-0001-9134-7517)
- Stella Logotheti (ORCID: https://orcid.org/0000-0001-8249-2202)
- Alexandros G. Georgakilas (ORCID: https://orcid.org/0000-0002-5971-0010)
- Onur Önder (ORCID: https://orcid.org/0000-0002-8373-1233)
- Hatice Döşeme
Institutions
- National Technical University of Athens (GR)
- German Cancer Research Center (DE)
- Dokuz Eylül University (TR)
- Heidelberg University (DE)
- Izmir Kâtip Çelebi University (TR)
- St. Boniface Hospital (CA)
- Georg Simon Ohm University of Applied Sciences Nuremberg (DE)
- University of Manitoba (CA)
Publication Details
- Journal
- Cancers
- Published
- 2024-10-25
- DOI
- https://doi.org/10.3390/cancers16213607
- Citations
- 2
- Primary Topic
- Computational Drug Discovery Methods
- Type
- article
- Field-Weighted Citation Impact
- 0.72
Funders
- European Commission
- HORIZON EUROPE Framework Programme