In silico screening of active compounds from soursop, mimosa, reeds, and Pandanus leaves as inhibitors for xanthine oxidase.

Gout is a chronic disease caused by the deposition of sodium urate crystals. One of the treatments for this disease is to reduce uric acid levels through the inhibition of the enzyme xanthine oxidase (XO). Allopurinol which is an analog of purines, is one of the commercially available XO inhibitor drugs. Various studies have been carried out to find new alternative and potential compounds to reduce uric acid levels from medicinal plants, which have long been carried out through the isolation of pure compounds and their derivatives as essential ingredients for making modern medicines. This study aims to reveal the potency of Indonesian medicinal plants to inhibit XO activity by screening active compounds derived from soursop leaves, mimosa leaves, reeds, and pandanus leaves as XO enzyme inhibitors in silico by virtual screening and molecular docking methods. The parameters analyzed are bond energy (ΔG), inhibition constant (Ki), and the bonds formed. The results of this study indicated that (E,E)-pandanamine from pandanus leaves had the highest potential as an XO enzyme inhibitor with ΔG of -9.28 kcal/mol, Ki of 0.16 µM, and the value of binding site similarity (% BSS) is 88.89%. Furthermore, the active compound from pandanus leaves has the potential to be studied further to be a drug candidate in the treatment of gout. [ABSTRACT FROM AUTHOR]