Computational proteome-wide screening reveals potential targets of astragaloside IV in Gallus gallus

Astragaloside IV (AS-IV), a primary active constituent of Astragalus membranaceus, possesses diverse pharmacological properties, including anti-inflammatory, antioxidant activities. However, its direct molecular targets in poultry have not been fully elucidated. In this study, a proteome-wide target identification strategy was established for Gallus gallus, integrating AlphaFold protein structures, P2Rank-based binding pocket detection, and high-throughput reverse docking with UniDock. Following systematic screening, 15 high-confidence candidate targets were prioritized. These targets are associated with lipid metabolism, cell cycle regulation, immune modulation and oxidative stress defense, etc. These findings bridge the gap between empirical observations of AS-IV efficacy and mechanistic understanding at the molecular level. Consequently, this study will accelerate the evidence-based integration of AS-IV into poultry health management strategies.