Studi In-Silico Senyawa Sesquiterpen Famili Zingiberaceae Sebagai Kandidat Antikanker Serviks Dengan Target Protein Vaccinia H-1 Related Phosphatase (VHR)
DOI:
https://doi.org/10.54082/jupin.2556Kata Kunci:
Kanker serviks, molecular docking, sesquiterpen, VHRAbstrak
Kanker serviks merupakan salah satu penyebab utama kematian akibat kanker pada wanita di seluruh dunia. Kanker ini disebabkan oleh infeksi Human Papilomavirus (HPV) yang menyebabkan proliferasi sel tidak terkendali pada daerah serviks. Penggunaan obat-obatan sintetik secara terus menerus dapat menyebabkan efek samping toksik, sehingga diperlukan alternatif pengobatan berbasis senyawa alam. Famili Zingiberaceae diketahui memiliki kandungan senyawa sesquiterpen yang memiliki bioaktivitas sebagai antikanker. Protein Vaccinia H-1 Related Phosphatase (VHR) berperan dalam proliferasi sel kanker sehingga penghambatannya dapat mengurangi pertumbuhan sel kanker serviks dan dipilih sebagai target molecular docking. Penelitian ini bertujuan untuk mengeksplorasi potensi lima senyawa sesquiterpen (curcumenol, zerumbone, humulene, germacrene B, α-copaene) sebagai kandidat antikanker serviks melalui metode molecular docking menggunakan AutoDock Vina dengan topotecan sebagai kontrol positif. Molecular docking dengan parameter binding affinity, struktur protein dimodelkan menggunakan Swiss-Model dan visualisasi dilakukan menggunakan Discovery Studio. Hasil penelitian menunjukkan bahwa curcumenol memiliki binding affinity paling rendah di antara senyawa sesquiterpen (-4,9 kkal/mol), diikuti zerumbone (-4,5 kkal/mol), dengan selisih hanya 0,5 kkal/mol dari topotecan (-5,4 kkal/mol). Seluruh senyawa sesquiterpen memiliki prediksi Human Intestinal Absorption (HIA) yang lebih tinggi (97,13–100%) dibandingkan topotecan (95,34%). Berdasarkan binding affinity dan HIA, curcumenol dan zerumbone berpotensi sebagai kandidat antikanker serviks pada tahap in silico. Penelitian ini menunjukkan pendekatan molecular docking dapat digunakan sebagai tahap awal penemuan kandidat antikanker sebelum dilakukan validasi lebih lanjut.
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