MOLEKULER DOCKING AKTIVITAS ANTIKANKER BUNGA TELANG TERHADAP PROTEIN CYCLIN DEPENDENT KINASE, B-RAPIDLY ACCELERATED FIBROSARCOMA, DAN CALMODULIN
Molecular Docking of Anticancer Activity of Butterfly Flowers Against CDK, BRAF, and Calmodulin Proteins
DOI:
https://doi.org/10.54771/fratyr19Keywords:
BRAF, Calmodulin , CDK, Kanker, Senyawa Bioaktif Bunga TelangAbstract
Kanker merupakan salah satu penyakit penyebab kematian utama di dunia. Upaya pengobatan telah banyak dilakukan, tetapi sering menimbulkan efek samping dan resistensi sehingga mendorong perlunya penelitian dan pengembangan obat antikanker baru yang lebih aman dan efektif dengan efek samping yang rendah, salah satu langkahnya adalah pemanfaatan tanaman bunga telang (BT). BT mempunyai kandungan senyawa yang beragam dengan aktivitas biologis yang potensial, salah satunya sebagai antikanker. Eksplorasi aktivitas senyawa bioaktif BT diharapkan sebagai langkah awal penemuan obat berbasis bahan alam yang potensial untuk imunoterapi kanker. Penelitian ini bertujuan untuk mengetahui dan menganalisis aktivitas inhibisi senyawa bioaktif dari BT sebagai suppressor protein target pada kanker dengan pendekatan molecular docking. Molekular docking dilakukan dengan beberapa software, yaitu Chimera 1.10.2, MarvinSketch 15.5.11, PyMol 2.3.3, Autodock 4.2, Discovery Studio V21.1.0.20298 dan PreAdmet. Hasil identifikasi dan skrining didapatkan 7 senyawa bioaktif BT yang memenuhi aturan lipinski. Hasil penelitian menjelaskan bahwa SBBT2 memberikan aktivitas inhibisi terbaik terhadap protein target CDK, BRAF, dan Calmodulin ditunjukkan dengan nilai energy gibbs terendah berturut-turut adalah -12,05 kkal/mol, -9,95 kkal/mol, -9,57 kkal/mol. Dengan demikian, senyawa bioaktif BT memiliki potensi sebagai inhibitor beberapa protein target pada kanker.
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