STUDI IN SILICO POTENSI ANTIKANKER PADA SENYAWA METABOLIT SEKUNDER BUAH MAKASSAR
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Brucea javanica (L.) Merr,
Studi in Silico,
BLST
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Abstract
Kanker adalah penyakit dengan angka kematian tinggi akibat pertumbuhan tidak normal sel. Terapi kanker saat ini belum dapat menyembuhkan kanker seutuhnya sehingga perlu alternatif obat dari tumbuhan. Buah Makassar (Brucea javanica (L.) Merr.) diduga memiliki aktivitas antikanker. Penelitian dilakukan menggunakan metode in silico, berupa penambatan molekuler menggunakan Autodock Tools 4.2, skrining farmakofor menggunakan LigandScout 4.4.5, pemeriksaan terhadap aturan lipinski serta prediksi absorbsi, distribusi, metabolisme, dan toksisitas dengan pre-ADMET. Selain itu, dilakukan uji toksisitas menggunakan Brine Shrimp Lethality Test (BSLT) metode vial dan microplate dengan hasil LC50 pada 198,07 ppm (microplate) dan 82,22 ppm (vial). Berdasarkan penambatan molekuler, nilai Binding Energy terbesar dimiliki bruceolide (-8,08 kkal/mol). Berdasarkan skrining farmakofor, nilai fit score terbesar diperoleh bruceine D (45,06).
Kata kunci: Kanker, Brucea javanica (L.) Merr, Studi in Silico, BLST
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