Molecular docking analysis with IC₅₀ Assay FAK against for FDA approved drugs
Focal Adhesion Kinase (FAK) plays a key role in cancer progression, making it a promising drug target. Hence, we screened 2,000 FDA-approved drugs using two docking tools, PyRx and GOLD. Top hits were analyzed for predicted binding affinities and molecular interactions, and selected compounds were tested in a luminescence-based IC<sub>50</sub> assay. Ponatinib emerged as a promising FAK inhibitor, showing favorable binding and measurable activity.
Authors
- Dale D. Tang (ORCID: https://orcid.org/0000-0002-7339-9249)
- Jitendra D. Belani (ORCID: https://orcid.org/0000-0003-4876-0044)
- Ajay Nayak
- Zeel Gandhi
Institutions
- Thomas Jefferson University (US)
- Albany Medical Center Hospital (US)
Publication Details
- Journal
- Bioinformation
- Published
- 2025-09-30
- DOI
- https://doi.org/10.6026/973206300213165
- Primary Topic
- Computational Drug Discovery Methods
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- Thomas Jefferson University