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In-silico analysis reveals potential of urate hydroxylase from Bacillus subtilis for hydrocarbon cleanup, suggesting new bioremediation approaches.
Petrochemical hydrocarbons are toxic, persistent environmental pollutants that pose serious ecological and health risks. Bioremediation using microbial enzymes offers a sustainable and effective alternative for their degradation. This study presents an in-silico analysis of Factor-independent urate hydroxylase from Bacillus subtilis to evaluate its potential in hydrocarbon biodegradation. The enzyme's physicochemical properties revealed moderate stability and hydrophilicity, favoring activity in aqueous environments. Post-translational modification analysis predicted multiple regulatory sites, suggesting adaptability to environmental conditions. Structural modeling and validation confirmed a high-quality 3D structure suitable for molecular docking. Nine petrochemical hydrocarbons were selected for virtual screening. Docking results showed strong binding affinities, particularly with 1,2,3,4,7,8-hexachlorodibenzofuran (-7.4 kcal/mol), crystal violet (-7.3 kcal/mol), and dioxins, with key residues (e.g., ARG207, VAL211, PHE289) mediating interactions. Toxicity predictions indicated high neurotoxicity and hepatotoxicity among the compounds, highlighting the urgency for effective remediation tools. The study concludes that Factor-independent urate hydroxylase demonstrates promising interaction with harmful hydrocarbons and play a key role in microbial bioremediation. These computational findings provide a foundation for future experimental validation and potential application in cleaning up petrochemical-contaminated environments.
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SOHAIL et al. (2025) studied this question.
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