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Análisis de docking molecular con ensayo de IC₅₀ de FAK contra fármacos aprobados por la FDA

Zeel Gandhi¹, Dale D Tang², Ajay Nayak³

¹Department of Pharmaceutical Sciences, College of Pharmacy, Thomas Jefferson University, Philadelphia, PA 19107.

|December 30, 2025

Abstract:

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 IC₅₀ assay. Ponatinib emerged as a promising FAK inhibitor, showing favorable binding and measurable activity.

Palabras clave:

fármacos aprobados por la FDA quinasa de adhesión focal GOLD ensayo IC50 Ponatinib PyRx reposicionamiento de fármacos docking molecular

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