Antihyperuricemia and chemical composition of <i>Boehmeria virgata</i>, <i>in vitro</i> and <i>in silico</i> approach with ADME prediction

<i>Boehmeria virgata</i>, a traditional South Sulawesi herb, was investigated for its potential to inhibit xanthine oxidase (XO), a key enzyme involved in uric acid production. Extracts from <i>B. virgata</i> demonstrated potent XO inhibition <i>in vitro</i>. Through bioassay-guided fractionation, flavonoids were identified as the primary inhibitory compounds. Molecular docking simulations revealed that these flavonoids, particularly 3-hydroxyflavon and luteolin, bind to XO with high affinity, forming hydrogen bonds and hydrophobic interactions. Their binding affinities were superior to allopurinol, a commonly used XO inhibitor. These findings suggest that <i>B. virgata</i> could be a promising natural source for developing novel treatments for hyperuricaemia.

Publication Details

Journal
Figshare
Published
2025-01-01
DOI
https://doi.org/10.6084/m9.figshare.28503206.v1
Primary Topic
Pasture and Agricultural Systems
Type
article
Field-Weighted Citation Impact
0.00
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article

Antihyperuricemia and chemical composition of Boehmeria virgata, in vitro and in silico approach with ADME prediction

Figshare
Pasture and Agricultural Systems
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Antihyperuricemia and chemical composition of Boehmeria virgata, in vitro and in silico approach with ADME prediction

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Abstract

<i>Boehmeria virgata</i>, a traditional South Sulawesi herb, was investigated for its potential to inhibit xanthine oxidase (XO), a key enzyme involved in uric acid production. Extracts from <i>B. virgata</i> demonstrated potent XO inhibition <i>in vitro</i>. Through bioassay-guided fractionation, flavonoids were identified as the primary inhibitory compounds. Molecular docking simulations revealed that these flavonoids, particularly 3-hydroxyflavon and luteolin, bind to XO with high affinity, forming hydrogen bonds and hydrophobic interactions. Their binding affinities were superior to allopurinol, a commonly used XO inhibitor. These findings suggest that <i>B. virgata</i> could be a promising natural source for developing novel treatments for hyperuricaemia.

Figshare
Openalex Percentile: Top 50%
Pasture and Agricultural Systems
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