Exploring the molecular interaction of Pediococcus acidilactici peptides with ROS1 receptor: Implications for broiler chicken health

Pediococcus acidilactici , a probiotic known for its health advantages, has been identified as a potential source of bioactive peptides that may influence ROS1 activity, thereby promoting poultry health and productivity. This study sought to clarify the molecular interactions between peptides derived from Pediococcus acidilactici and the ROS1 receptor through computational docking and in silico methods. The primary objective was to pinpoint peptide candidates with prospects for regulating oxidative stress, immune functions, and enhancing growth in broiler chickens. Protein-protein docking was performed utilizing ClusPro to forecast binding interactions between the peptides and the ROS1 receptor. Four docking modalities—balanced, electrostatic-favored, hydrophobic-favored, and Van der Waals + electrostatics—were employed to evaluate binding affinities. The post-docking analysis involved assessments of hydrogen bonding, ionic interactions, and hydrophobic packing. The balanced mode exhibited notable binding affinity in Cluster 5 with a docking score of -1021.3, while the hydrophobic-favored mode recorded the lowest scores (-1369.8), indicating substantial stabilization by hydrophobic residues. Critical binding sites were identified as GLU 365, ASP 210, PHE 267, and TRP 269. Statistical evaluations showed strong correlations between hydrogen bonding and docking scores (r=0.87, p< 0.001) and between ionic interactions and docking scores (r=0.81, p< 0.001). The results underscore the potential of Pediococcus acidilactici -derived peptides as functional modulators of ROS1, providing innovative approaches to enhance poultry health and productivity. These peptides can manage oxidative stress and immune responses in broilers, thereby supporting sustainable and antibiotic-free poultry farming.