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DOCKING MOLECULAR SENYAWA PADA TANAMAN FAMILI APIACEAE SEBAGAI PENGHAMBAT ENZIM XANTHINE OXIDASE | Oktaviani | Jurnal Farmasi Higea

DOCKING MOLECULAR SENYAWA PADA TANAMAN FAMILI APIACEAE SEBAGAI PENGHAMBAT ENZIM XANTHINE OXIDASE

Tiara Oktaviani, Oky Hermansyah, Ikhsan Ikhsan, Suci Rahmawati, Nori Wirahmi

Sari


Asam urat merupakan produk metabolisme dari purin yang dikonversi oleh enzim xanthine oxidase didalam tubuh. Peningkatan kadar asam urat dalam darah karena metabolisme purin yang berlebihan dapat mengakibatkan penumpukan kristal monosodium urat pada persendian yang memicu terjadinya  penyakit gout. Tujuan penelitian ini adalah untuk memprediksi potensi senyawa aktif pada herbal famili apiaceae yang dapat menghambat kerja enzim xanthine oxidase. Penelitian ini dilakukan secara in silico dengan menggunakan aplikasi Autodock Tools 1.5.6. Docking molecular dilakukan dengan ukuran pusat penambatan molekul pada x = 95,226; y = 47,251; z = 112, 78 dengan volume x, y, dan z = 40. Struktur kristal enzim xanthine oxidase dengan kode 3BDJ sebagai makromolekul dan sebagai ligan uji 10 senyawa aktif Famili Apiaceae. Dari hasil penelitian secara in silico didapatkan bahwa senyawa aktif pada tanaman seledri (Apium graveolens) yaitu apigenin memiliki potensi sebagai anti asam urat karena dari hasil simulasi menunjukkan bahwa senyawa ini memiliki nilai energi ikatan -10,28 dimana nilainya lebih baik dibandingkan dengan ligan uji lainnya termasuk pada senyawa pembanding alupurinol,  nilai Ki-nya 29,31nM, memiliki 2 ikatan hidrogen dan terikat pada 10 residu asam amino.


Kata Kunci


Asam Urat; Apiaceae; Xanthine Oxidase; Docking Molecular

Teks Lengkap:

PDF

Referensi


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Hermansyah, O., Bustamam, A., & Yanuar, A. (2021). Virtual screening of dipeptidyl peptidase-4 inhibitors using quantitative structure–activity relationship-based artificial intelligence and molecular docking of hit compounds. Computational Biology and Chemistry, 95, 107597. https://doi.org/https://doi.org/10.1016/j.compbiolchem.2021.107597

Indah Wulan Sari, Junaidin, D. P. (2020). Studi Molecular Docking Senyawa Flavonoid Herba Kumis Kucing (Orthosiphon stamineus)-Glukosidase Sebagai Antidiabetes Tipe 2. Jurnal Farmagazine, VII(2), 54–60.

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Okamoto, K., Eger, B. T., Nishino, T., Pai, E. F., & Nishino, T. (2008). Mechanism of inhibition of xanthine oxidoreductase by allopurinol: crystal structure of reduced bovine milk xanthine oxidoreductase bound with oxipurinol. Nucleosides, Nucleotides & Nucleic Acids, 27(6), 888–893. https://doi.org/10.1080/15257770802146577

Putri, H. H. (2022). Analisis In Silico Kandungan Senyawa Kimia Tanaman Seledri (Apium graveolens) Terhadap Enzim Inhibitor Xantine Oksidase Sebagai Antihiperurisemia. Universitas Sumatera Utara.

Rinayanti, A., Rahayu, S. T., & Syachfitri, R. D. (2016). No Title. Uji Aktivitas Penghambatan Xantin Oksidase Isolat 6,4’-Dihidroksi-4-Metoksibenzofenon-2-O-Î’-D-Glukopiranosida (C20H22O10) Dari Mahkota Dewa (Phaleria Macrocarpa (Scheff.) Boerl), 3(1), 1–11. https://doi.org/10.7454/psr.v3i1.3213

Rizki, M., & Pratama, F. (2016). Studi Docking Molecular Senyawa Turunan Kuinolin Terhadap Reseptor Estrogen- α. Jurnal Surya Medika, 2(1).

Sari, I. W., Junaidin, J., & Pratiwi, D. (2020). Studi Molecular Docking Senyawa Flavonoid Herba Kumis Kucing (Orthosiphon Stamineus B.) pada Reseptor α-Glukosidase sebagai Antidiabetes Tipe 2. Jurnal Farmagazine, 7(2), 54–60.




DOI: http://dx.doi.org/10.52689/higea.v16i1.593

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