Desain Turunan Kalkon Baru Sebagai Antikanker Payudara Berdasarkan Molecular Docking
DOI:
https://doi.org/10.21580/wjc.v2i2.6025Keywords:
kalkon, kanker, molecular docking, inhibisiAbstract
Penelitian ini dilakukan untuk menentukan senyawa turunan kalkon yang berpotensi sebagai antikanker payudara berdasarkan Molecular Docking. Protein yang digunakan yaitu 17β-hidroksisteroid dehydrogenase. Adapun ligan yang digunakan adalah 20 senyawa turunan kalkon yang dibandingkan dengan senyawa obat pembanding. Posisi pusat grid pada sisi aktif protein kanker payudara yang telah dilakukan pada penelitian sebelumnya yaitu pada leusin 149.X CB, serin 142.X OG, dan asparagine 152.X OD1. Software yang digunakan yaitu hyperchem, Gaussian03, Molden, Autodock Tools, Autodock4, dan chimera 1.5.3. Penelitian ini dilakukan dengan empat langkah yaitu pencarian kompleks protein-ligan 17β-hidroksisteroid dehydrogenase dengan kode PDB 3HB4, optimasi struktur ligan dengan metode perhitungan AM1, molecular docking, dan pemilihan senyawa turunan kalkon sebagai antikanker payudara. Hasil docking turunan kalkon memiliki akivitas daya hambat terhapat protein 17β-hidroksisteroid dehydrogenase dengan nilai sebesar 4,41 × 10-6M sampai 2,4783 × 10-7M. Hasil molecular docking didapatkan senyawa turunan kalkon sebagai antikanker payudara yaitu kalkon X memiliki tetapan inhibisi 2,4783 × 10-7M.
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References
Ahmed, R.M., Sastry, G.V., Bano, N., Ravichandra, S., and Raghavendra, M. (2011). Synthesis and Cytotoxic, Antioxidant Activities of New Chalcone Derivatives. Rasayan Journal Chemistry. 4(2): 289-294.
Arry, Y. (2012). Penambatan Molekular: Praktek dan Aplikasi Virtual Screening.
Child, A. C., Phaneuf, S. L., Dirks, A. J., Phillips, T., and Leeuwenburgh. (2002). Doxorubicin Treatment in Vvo Causes Cytochrome Release and Cardiomyocyte Apoptosis, As Well As Increased Mitochondrial Efficiency, Superoxide Dismutase Activity, and Bcl-2:Bax Ratio, Cancer Research, 62:4592-4598.
Doan, T.N., & Tran, D.T. (2011). Synthesis, Antioxidant and Antimicrobial Activities of a Novel Series of Chalcones, Pyrazolic Chalcones, and Allylic Chalcones. Scientific Research. 2: 282-288.
Kashyap, S.J., Garg, V.K., Dudhe, R., Sharma, P.K & Kumar, N. (2011). Synthesis and In-vitro Antioxidant Activity of Substituted Chalcone Derivatives. International Journal Of Drug Formulation and Research. 4 (2): 324-336.
Kusminarto, 2006. Deteksi Sangat Dini Kanker Payudara: Jawaban untuk Menghindar. [online] Http://www.depkes.go.id/index.php. Diakses pada tanggal 31 Desember 2014.
Lawrence, N. J., Rennison D., McGown A. T., Hadfield J. A. (2003). The total synthesis of an aurone isolated from Uvaria hamiltonii: aurones and flavones as anticancer agents. Bioorg Med Chem Let. 13: 3759–3763.
Nurjanah, F., (2014). Validasi Pusat Grid Docking Molekul pada Sisi Aktif Protein Kanker Payudara. Skripsi. Purwokerto: Universitas Jenderal Soedirman.
Pratoko, D. (2013). Molecular Docking Turunan Kalkon Terhadap Reseptor Estrogen β (ER- β) Sebagai Antikanker Payudara. Jember:Universitas Jember.
Purnomo, H. (2013). Asam Amino, Buku Ajar Kimia Universitas Wiraraja Sumenep. Jawa Timur: FMIPA Universitas Wiraraja Sumenep.
Rasyidi. (2009). Epidemiologi kanker serviks. Indonesian Journal of Cancer. 3:103-8.
Saxena, H. O., Faridi U., Kumar J. K., Luqman S., Darokar M. P., Shanker K., Chanotiya C. S., Gupta M. M., Negi A. S. (2007). Synthesis of Chalcone Derivatives on Steroidal Framework and Their Anticancer Activities. Steroids. 72: 892-900.
Syam, S., Abdelwahab, S.I., Al-Mamary, M.A., and Mohan, S. (2012). Synthesis of Chalcones with Anticancer Activities. Molecules. 17: 6179-6195.
Yager, J. (2006). Estrogen Carcinogenesis in Breast Cancer. N Engl J Med. 354: 270 – 282.
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