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Molecular docking analysis with IC50 Assay FAK against for FDA approved drugs
Zeel Gandhi1, Dale D Tang2, Ajay Nayak3
1Department of Pharmaceutical Sciences, College of Pharmacy, Thomas Jefferson University, Philadelphia, PA 19107.
Focal Adhesion Kinase (FAK) is crucial in cancer progression. Researchers screened 2,000 drugs, identifying Ponatinib as a promising FAK inhibitor with favorable binding and measurable activity.
Area of Science:
- Oncology
- Pharmacology
- Biochemistry
Background:
- Focal Adhesion Kinase (FAK) is implicated in cancer progression.
- FAK is a validated therapeutic target for cancer treatment.
Purpose of the Study:
- To identify existing FDA-approved drugs that inhibit FAK.
- To evaluate the binding affinity and molecular interactions of potential FAK inhibitors.
Main Methods:
- Screened 2,000 FDA-approved drugs using PyRx and GOLD docking tools.
- Analyzed predicted binding affinities and molecular interactions of top drug candidates.
- Performed luminescence-based IC50 assays to measure FAK inhibition.
Main Results:
- Ponatinib was identified as a potent FAK inhibitor.
- Ponatinib demonstrated favorable predicted binding to FAK.
- Ponatinib exhibited measurable FAK inhibitory activity in vitro.
Conclusions:
- Ponatinib is a promising candidate for FAK-targeted cancer therapy.
- Drug repurposing can identify novel therapeutic agents for cancer.
- Further investigation of Ponatinib for FAK inhibition is warranted.
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