分子ドッキング解析とIC50アッセイによるFAKに対するFDA承認薬の研究

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.

キーワード:

FDA承認薬接着斑キナーゼ GOLD IC50アッセイポナチニブ PyRx ドラッグリパーパシング分子ドッキング

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