Potensi Senyawa Hidrazon berbasis Turunan 2-Tiohidantoin dan Hidrazida sebagai Inhibitor Protein E6 pada Kanker Serviks secara In Silico
Abstract
Setiap tahun, prevalensi penyakit kanker leher rahim di dunia semakin meningkat. Kanker serviks dapat terjadi akibat infeksi Human Papillomavirus (HPV). Saat ini, penargetan penghambatan onkoprotein E6 cenderung dipilih karena lebih aman dan lebih baik sebagai agen terapeutik kanker serviks. Selain itu, E6 juga termasuk virus krusial yang menginduksi kanker serviks melalui inaktivasi protein p53 sehingga diperlukan material yang efektif untuk menghambat kinerja onkogen E6. Hidrazon merupakan senyawa basa Schiff yang memiliki gugus azometin (-NHN=CR-). Gugus azometin inilah yang berperan dalam berbagai bioaktivitas, termasuk antivirus dan antikanker. Pada penelitian ini, hidrazon berasal dari turunan 2-tiohidantoin dan hidrazida. Senyawa 2-tiohidantoin termasuk kelompok heterosiklik yang memainkan peran penting dalam kimia obat seperti antikonvulsan, antibakteri, antidiabetik, antivirus dan antikanker. Dengan demikian, senyawa ini dapat menjadi agen alternatif pengobatan kanker serviks. Sebelum dilakukan sintesis material tersebut, perlu dilakukan analisis bioaktivitas menggunakan komputasi. Kajian metode in-silico meliputi pembuatan struktur menggunakan Avogadro, optimasi geometri molekul menggunakan Gaussian 16, serta hasil interaksi ligan-protein (RMSD, KI, Binding Affinity, ADME, Binding Pocket, dan Drugability score) menggunakan Autodock Tools, LigPlot, SwissADME, PLIP Tools, dan Protein Plus. Hasil penelitian menunjukkan bahwa senyawa hidrazon yang berasal dari turunan 2-tiohidantoin dan hidrazida berpotensi menghambat protein E6 dan dapat digunakan sebagai obat oral.
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DOI: http://dx.doi.org/10.12962/j25493736.v7i2.14722
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