POTENSI ANTIINFLAMASI SENYAWA BIOAKTIF DARI SYZYGIUM MYRTIFOLIUM: STUDI MOLECULAR DOCKING BERTARGET COX-2
Abstrak
Peradangan kronis berkontribusi besar terhadap berbagai penyakit degeneratif, dan Cyclooxygenase-2 (COX-2) merupakan target utama dalam pengembangan terapi antiinflamasi. Syzygium myrtifolium, tanaman asli Indonesia, diketahui mengandung beragam senyawa bioaktif dengan potensi farmakologis. Penelitian ini bertujuan untuk mengeksplorasi aktivitas antiinflamasi senyawa aktif S. myrtifolium terhadap COX-2 melalui pendekatan molecular docking. Senyawa yang diteliti antara lain avikularin, asam betulinat, asam ursolat, serta dua flavanon yang dimodelkan dan di-docking terhadap protein COX-2 (PDB ID: 5F19). Proses docking dilakukan menggunakan perangkat lunak YASARA dengan metode blind docking, dan hasil divisualisasikan menggunakan Discovery Studio. Hasil menunjukkan bahwa empat senyawa memiliki nilai energi ikat lebih tinggi dibandingkan celecoxib sebagai kontrol, dengan senyawa (2S)-7-Hydroxy-5-methoxy-6,8-dimethylflavanone menunjukkan interaksi paling stabil memiliki nilai energi ikat 9.0450 kkal/mol. Prediksi toksisitas menunjukkan bahwa senyawa-senyawa tersebut tergolong aman berdasarkan parameter LD50 dan kelas toksisitas. Temuan ini memberikan dasar yang kuat untuk pengembangan senyawa alami sebagai inhibitor COX-2 potensial.
Referensi
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