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<p>Over the past decade, plant-derived proteins have gained attention as potential reservoirs of antimicrobial agents due to their efficacy and safety. This study focuses on <i>Solanum tuberosum</i> patatin (<i>St</i>P), a major storage protein from potato (<i>Solanum tuberosum</i> L.), known for its possible antibacterial properties. <i>St</i>P was extracted using ammonium sulphate precipitation, quantified via the Bradford assay, and confirmed by SDS-PAGE, revealing a single 42&#xa0;kDa band. Sequence analysis indicated a theoretical isoelectric point of 5.05, suggesting pH sensitivity. Physicochemical profiling showed low hydrophobicity, room temperature stability, an aliphatic index of 83.73, and an instability index of 32. Structural modeling revealed three potential ligand-binding sites, with one prominent site exhibiting a large surface area and volume. Molecular docking demonstrated strong binding affinities (ΔG − 7.9 to − 12.5&#xa0;kcal/mol) of <i>St</i>P with N-acetyl-<i>β</i>-<i>D</i>-glucosamine and <i>β</i>-glucan—key components of microbial cell walls. Antimicrobial testing of purified <i>St</i>P showed notable antifungal activity against <i>Sclerotinia sclerotiorum</i> and <i>Aspergillus niger</i>, with significant zones of inhibition. In contrast, antibacterial effects against <i>Pseudomonas aeruginosa</i> and <i>Staphylococcus aureus</i> were mild. These findings support the potential of <i>St</i>P as a candidate for antimicrobial applications, particularly in combating fungal pathogens.</p>

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Antimicrobial Plant Protein Patatin: Identification and In-Silico Analysis Through Phylogenetics and Molecular Docking

  • 期刊论文

  • 发表日期：

    2026年7月11日

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  • Sarah Tariq,
  • Binish Khaliq,
  • Hina Shaheen,
  • Ahmad Riaz,
  • Sumaira Rubbani,
  • Muhammad Sajid Hamid Akash,
  • Amjad Hussain,
  • Muhammad Imran,
  • Muhammad Arslan Javed,
  • Ahmed Akrem,
  • Sohaib Mehmood,
  • Sajjad Azam

摘要

Over the past decade, plant-derived proteins have gained attention as potential reservoirs of antimicrobial agents due to their efficacy and safety. This study focuses on Solanum tuberosum patatin (StP), a major storage protein from potato (Solanum tuberosum L.), known for its possible antibacterial properties. StP was extracted using ammonium sulphate precipitation, quantified via the Bradford assay, and confirmed by SDS-PAGE, revealing a single 42 kDa band. Sequence analysis indicated a theoretical isoelectric point of 5.05, suggesting pH sensitivity. Physicochemical profiling showed low hydrophobicity, room temperature stability, an aliphatic index of 83.73, and an instability index of 32. Structural modeling revealed three potential ligand-binding sites, with one prominent site exhibiting a large surface area and volume. Molecular docking demonstrated strong binding affinities (ΔG − 7.9 to − 12.5 kcal/mol) of StP with N-acetyl-β-D-glucosamine and β-glucan—key components of microbial cell walls. Antimicrobial testing of purified StP showed notable antifungal activity against Sclerotinia sclerotiorum and Aspergillus niger, with significant zones of inhibition. In contrast, antibacterial effects against Pseudomonas aeruginosa and Staphylococcus aureus were mild. These findings support the potential of StP as a candidate for antimicrobial applications, particularly in combating fungal pathogens.