Indexing
CÁC SỐ TỪ 2011-2023
Tạp chí Y Dược Học
Abstract
Background: Gout is a common metabolic disorder associated with elevated blood uric acid levels due to the activity of the enzyme xanthine oxidase. Previous studies have shown that extracts of Gnetum parvifolium effectively inhibit xanthine oxidase. This study was conducted to evaluate the xanthine oxidase inhibitory potential of individual compounds and compound groups derived from Gnetum parvifolium. Materials and methods: 58 compounds from Gnetum parvifolium were subjected to molecular docking with the enzyme xanthine oxidase (crystal structure 2E1Q). MOE, Sybyl, and LeadIT software were utilized for the preprocessing and docking steps. The docking data was analyzed with Python and visualized using the Seaborn and Matplotlib libraries. Results: A total of 38 compounds achieved docking scores below –15 kJ/mol, of which 11 had scores lower than allopurinol. Notable compounds include p-coumaric acid (–30.94 kJ/mol), trigonelline (–29.80 kJ/mol), and apigenin (–24.48 kJ/mol). The phenylpropanoid (C6–C3), alkaloid, flavonoid, and stilbenoid groups contain several promising representatives with strong binding affinities. Conclusions: Gnetum parvifolium contains numerous bioactive compounds with potential for the treatment of gout. Further in vitro assays are recommended to validate their practical efficacy.
| Published | 2026-06-28 | |
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| Issue | Vol. 16 No. 3 (2026) | |
| Section | Original Articles | |
| DOI | 10.34071/jmp.2026.3.593 | |
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