Mechanistic inhibition of herpes simplex virus-1 UL21 immune-evasion function by natural-product scaffolds: A multi-tier docking, dynamics, and energetic profiling approach
These findings identify natural-product scaffolds with high potential to modulate UL21-mediated immune suppression, with kaempferol 3,7,4′-tri-O-β-glucoside emerging as the most promising candidate and provide a foundation for experimental validation and future antiviral drug development targeting HSV-1.