# Bioprospection of Hura crepitans metabolites against oxidative stress and inflammation: An in vitro and in silico exploration

## TL;DR

This study explores the antioxidant and anti-inflammatory properties of Hura crepitans, identifying key compounds like rutin that show promise for treating oxidative stress and inflammation.

## Contribution

The study combines in vitro and in silico methods to uncover the mechanisms of Hura crepitans' bioactive compounds against oxidative and inflammatory targets.

## Key findings

- The crude methanolic extract of H. crepitans showed strong antioxidant activity comparable to ascorbic acid.
- Rutin was identified as the most abundant and stable compound in interactions with oxidative and inflammatory targets.
- Computational analyses confirmed the safety and binding stability of the identified compounds.

## Abstract

Background: Despite the recognized therapeutic potential of Hura crepitans, its mechanistic antioxidant and anti-inflammatory actions remain underexplored.

Methods: This study investigates the inhibitory effects, binding stability, and interactions of metabolites from H. crepitans on oxidative and inflammatory biomarkers/targets using in vitro analyses and molecular dynamics (MD) simulations.

Results: In vitro experiments revealed significant dose-dependent antioxidant and anti-inflammatory activities. The crude methanolic extract (CMEHC) showed notable half-maximal inhibitory concentration (IC50) values for antioxidant assays, such as diphenyl picrylhydrazine (45.51 µg/mL) and ferric-reducing power (10.86 µg/mL), with comparable performance to standard ascorbic acid. Anti-inflammatory activities, including protein denaturation, proteinase inhibition, and membrane stabilization, demonstrated IC50 values between 77.29-171.30 µg/mL. Liquid chromatography-mass spectrophotometry identified five primary compounds, predominantly phenolics, with rutin as the most abundant. Computational analyses confirmed these compounds' safety profiles, robust binding interactions, and stability against oxidative and inflammatory targets, with rutin forming the most stable interactions.

Conclusion: These findings highlight the potential of H. crepitans phenolics as alternative therapies for oxidative stress and inflammation, warranting further drug development studies.