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Prediction of Artocarpus altilis Potential as an Anti Breast Cancer by Inhibiting EGFR: a Molecular Docking Study
Abstract
Reseptor Faktor Pertumbuhan Epidermal (EGFR) merupakan target penting dalam terapi kanker payudara, mengingat perannya dalam proliferasi, motilitas, dan invasi sel tumor melalui jalur pensinyalan penting seperti Ras-MAPK dan PI3K/Akt. Penelitian ini mengeksplorasi potensi senyawa aktif Artocarpus altilis (AA), yang kaya akan flavonoid, sebagai alternatif kemoterapi. Metode docking molekular digunakan untuk memprediksi interaksi antara senyawa AA dan protein EGFR (PDB ID: 2J6M). Validasi docking menunjukkan nilai RMSD sebesar 0,854 Å, yang menunjukkan akurasi tinggi. Asam ellagic menunjukkan afinitas pengikatan terbaik (-8,4 kkal/mol), diikuti oleh Quercetin (-7,3 kkal/mol), Katekin, dan Epikatekin (-7,2 kkal/mol). Analisis residu mengungkapkan bahwa MET793 memainkan peran kunci dalam stabilitas interaksi. Visualisasi interaksi dan prediksi ADMET menunjukkan bahwa sebagian besar senyawa memenuhi Aturan Lima Lipinski, tanpa risiko hepatotoksisitas atau mutagenesis. Senyawa potensial seperti Quercetin dan Epicatechin menunjukkan kinerja yang sebanding dengan doxorubicin, tetapi dengan potensi efek samping yang lebih rendah. Hasil ini memperkuat peran senyawa alami sebagai kandidat untuk terapi kanker yang ditargetkan pada EGFR, yang menyediakan dasar untuk pengembangan obat antikanker yang lebih aman dan lebih efektif.
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DOI: https://doi.org/10.14421/biomedich.2025.141.199-204
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