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<p>Copper is found to be one of the major pollutants and our ecosystem can get exposed to copper contaminants through the bulk release of copper-containing wastewater and exhausts from urban usage, disposals from industries and domestic households. The aim is to decontaminate the environment from the noxious effects of copper by using bacterial degradation instead of mechanical techniques. This study focuses on the detoxification of copper elements from the ecosystem by utilizing the bioremediation phenomenon through <i>in-silico</i> principles. The copper-containing nitrite reductase protein sequence was retrieved from the genome of <i>Cupriavidus metallidurans</i> bacterial strain via NCBI databases and was taken under consideration to test its catalytic activity against the copper pollutants. The protein’s secondary structure predicted the random coil score about 45.36% followed by alpha-helix and beta-turns. The nitrite reductase was further bound with copper derivatives obtained from the PubChem database. HDock revealed the highest binding affinity with atrazine up to  − 7.9&#xa0;kcal/mol, ensuring the strong hydrogen bonds with the predicted binding sites of nitrite reductase via molecular interaction analysis. The atrazine degradation pathway from KEGG shows how bacteria enzymatically transform atrazine into intermediates such as hydroxyatrazine and cyanuric acid, which are further broken down into urea, allophanate, and ultimately mineralized to carbon dioxide, thereby detoxifying the herbicide. This study reveals the potential of the nitrite reductase enzyme to degrade the toxic herbicide atrazine, which is a significant environmental pollutant, indicating a promising new avenue for bioremediation and a potential novel discovery in enzymatic herbicide and copper degradation.</p>

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Mitigating copper contamination through bioremediation by Cupriavidus metallidurans nitrite reductase enzyme

  • 期刊论文

  • 发表日期：

    2025年11月26日

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  • M. Naveed,
  • R. Naveed,
  • T. Aziz,
  • F. Iqbal,
  • A. Azeem,
  • A. Saleem,
  • A. A. Khan,
  • A. S. Alamri,
  • W. F. Alsanie,
  • M. Alhomrani

摘要

Copper is found to be one of the major pollutants and our ecosystem can get exposed to copper contaminants through the bulk release of copper-containing wastewater and exhausts from urban usage, disposals from industries and domestic households. The aim is to decontaminate the environment from the noxious effects of copper by using bacterial degradation instead of mechanical techniques. This study focuses on the detoxification of copper elements from the ecosystem by utilizing the bioremediation phenomenon through in-silico principles. The copper-containing nitrite reductase protein sequence was retrieved from the genome of Cupriavidus metallidurans bacterial strain via NCBI databases and was taken under consideration to test its catalytic activity against the copper pollutants. The protein’s secondary structure predicted the random coil score about 45.36% followed by alpha-helix and beta-turns. The nitrite reductase was further bound with copper derivatives obtained from the PubChem database. HDock revealed the highest binding affinity with atrazine up to  − 7.9 kcal/mol, ensuring the strong hydrogen bonds with the predicted binding sites of nitrite reductase via molecular interaction analysis. The atrazine degradation pathway from KEGG shows how bacteria enzymatically transform atrazine into intermediates such as hydroxyatrazine and cyanuric acid, which are further broken down into urea, allophanate, and ultimately mineralized to carbon dioxide, thereby detoxifying the herbicide. This study reveals the potential of the nitrite reductase enzyme to degrade the toxic herbicide atrazine, which is a significant environmental pollutant, indicating a promising new avenue for bioremediation and a potential novel discovery in enzymatic herbicide and copper degradation.