Asam urat dapat dihasilkan melalui proses katalisasi oksidasi dari hipoxantin menjadi xantin dan juga melalui degradasi purin dengan bantuan xantin oksidase. Bila kadar asam urat melebihi batas normal maka dapat menyebabkan hiperurisemia yang merupakan faktor utama gout (pirai). Hal ini dapat dicegah dengan menginhibisi kerja xantin oksidase menggunakan inhibitor xantin oksidase. Penelitian ini dilakukan untuk menemukan kandidat inhibitor XO dari flavonoid dengan metode penapisan virtual menggunakan AutoDock Vina dalam PyRx. Hasil optimisasi parameter penapisan virtual diperoleh dengan menggunakan grid box 15Åx15Åx15Å dan exhaustiveness 8. Struktur kristalografi target makromolekul diperoleh dari RSCB PDB dengan ID 2E1Q. Berdasarkan hasil penapisan virtual diperoleh sepuluh senyawa ligan uji dengan energi ikatan terendah, antara lain: 7,4'-dihydroxyflavone, apigenin, geraldone, chrysin, 7,3',4'-trihydroxyflavone, luteolin, baicalein, 6-hydroxyluteolin, pseudobaptigenin, dan scutellarein. Sepuluh senyawa tersebut memiliki energi ikatan antara -9,9 hingga -10,8 kkal/mol dibandingkan dengan kontrol positif allopurinol (-6,9 kkal/mol), oxypurinol (-7,2 kkal/mol), febuxostat (-8,2 kkal/mol), dan topiroxostat (-8,6 kkal/mol). Hasil tersebut mengindikasikan bahwa sepuluh senyawa tersebut memiliki potensi sebagai inhibitor XO.

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Uric acid can be produced through the oxidation catalysis process from hypoxanthine to xanthine and also through purine degradation catalyzed by xanthine oxidase. When uric acid levels exceeding normal limits, hyperuricemia, which is a major factor in gout, could be developed. This can be prevented by inhibiting the action of xanthine oxidase using xanthine oxidase inhibitors. The study was conducted to find XO inhibitor candidates from flavonoids by virtual screening methods using Vina AutoDock in PyRx. Optimization results of virtual screening parameters were obtained using a 15Åx15Åx15Å grid box and exhaustiveness 8. The crystallographic structure of the macromolecular target was obtained from RSCB PDB with ID 2E1Q. Ten compounds were obtained from virtual screening result based on their binding energy, including: 7,4'-dihydroxyflavone, apigenin, geraldone, chrysin, 7,3',4'-trihydroxyflavone, luteolin, baicalein, 6-hydroxyluteolin, pseudobaptigenin, and scutellarein. The ten compounds have binding energy of -9,9 to -10,8 kcal / mol compared with positive control of allopurinol (-6,9 kcal/mol), oxypurinol (-7,2 kcal/mol), febuxostat (-8, 2 kcal/mol), and topiroxostat (-8,6 kcal/mol). These results indicate that the ten compounds have potential to be developed as XO inhibitors.