Molecular docking approach to identify xanthine oxidase inhibitory effect of bioactive compounds in Pogostemon cablin (Blanco) Benth.

Xanthine oxidase (XO) is a homodimeric enzyme found in many species, including humans responsible for catalyzing the synthesis of uric acid from hypoxanthine using oxygen as a substrate. Pogostemon cablin (Blanco) Benth. (P. cablin) has been widely used in traditional medicine for the treatment of gout. In this study, we used molecular docking method to find bioactive compounds from Pogostemon cablin (Blanco) Benth. for inhibiting the XO enzyme. bioactive compounds were collected based on previous Pogostemon cablin (Blanco) Benth publications. and evaluated docking scores using Autodock vina software. Out of 78, four compounds had stronger inhibiting potential to XO target than positive controls. Lipinski's rule of five and ADMET property prediction analysis revealed positive results with two compounds, acacetin and apigenin. Therefore, in vitro and in vivo studies should be carried out to verify these compounds' XO inhibitory potential for future drug development.