Evaluation of Anti-gout Activity of Eugenol and Quercetin from Herbal Sources Using Computational and Analytical Approaches

Abstract

Gout is a metabolic disorder characterized by hyperuricemia, which results in the deposition of monosodium urate crystals in joints, leading to recurrent episodes of inflammation, pain, and progressive joint damage. Xanthine oxidase (XO), the key enzyme involved in the final steps of uric acid biosynthesis, is an important therapeutic target for gout management. Although conventional XO inhibitors such as allopurinol are effective, their long-term use may be associated with adverse effects, highlighting the need for safer, plant-derived alternatives. The present study aimed to investigate the antigout potential of the phytochemicals eugenol and quercetin through phytochemical characterization, molecular docking, and in silico pharmacokinetic analysis.Methanolic extracts of clove (Syzygiumaromaticum), bitter melon (Momordicacharantia), and betel leaf (Piper betle) were subjected to preliminary phytochemical screening to identify the presence of bioactive secondary metabolites. Thin Layer Chromatography (TLC) was performed to separate and identify the major phytochemical constituents, while Attenuated Total Reflectance–Fourier Transform Infrared (ATR-FTIR) spectroscopy was employed to characterize functional groups and confirm the presence of eugenol and quercetin. Molecular docking studies were carried out using the SwissDock platform to evaluate the binding affinity and interaction patterns of these compounds with the xanthine oxidase enzyme. Furthermore, ADMETlab 2.0 was utilized to predict the absorption, distribution, metabolism, excretion, and toxicity (ADMET) profiles of the selected phytochemicals, thereby assessing their drug-likeness and safety.The molecular docking analysis demonstrated favorable binding interactions of both eugenol and quercetin with the active site of xanthine oxidase, indicating their potential inhibitory activity. ADMET predictions suggested acceptable pharmacokinetic properties and low toxicity, supporting their suitability as potential therapeutic candidates. Overall, the findings suggest that eugenol and quercetin possess promising antigout activity and may serve as natural xanthine oxidase inhibitors. This integrated experimental and computational approach provides a scientific basis for further in vitro and in vivo investigations to validate their efficacy and facilitate the development of safer, plant-based therapies for gout management.