In Silico Study of Java Cardamom (Amomum compactum) Fruit Derivative Compounds as Antihyperuricemia
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Abstract
Hyperuricemia is a condition where the level of uric acid in the blood exceeds the threshold, which can cause gout and can be a complication of kidney disease and cancer. PDB 3NVW is a xanthine oxidase protein, the target for antihyperuricemia activity, and the main target of allopurinol for treating gout. This study aimed to identify the active ingredients in cardamom fruit that can potentially prevent hyperhyperuricemia using in silico approach. Testing was carried out using a series of processes, including the search for compounds from cardamom fruit, toxicity and pharmacokinetic screening, drug scan, molecular docking, docking visualization, and molecular dynamics. The results of the in silico test showed that the compound 3-Cyclohexene-1-methanol has a low binding energy value of -5.36 kcal/mol and an inhibition constant of 117 µM, and has amino acid residues similar to allopurinol as a reference drug, namely ARG880, GLU802, and PHE914. The low binding energy value indicates that the compound 3-Cyclohexene-1-methanol is better and more potent as an antihyperuricemia than the reference drug.
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