Virtual insights into the quercetin- Melampsora lini-derived effector AvrM14 interaction: An In silico exploration of plant defense mechanisms

Abstract

The co-evolutionary struggle between plants and pathogens shapes vital defense mechanisms crucial for survival. AvrM14 selectively removes the 5′ cap from mRNA, disrupting key aspects of plant mRNA regulation, enhancing the flax rust fungus's infection capabilities. In contrast, quercetin, a plant flavonoid, serves as an antioxidant, stress reliever, and immune protector. This in silico study explores quercetin's inhibition of AvrM14, revealing high-affinity binding to the Nidux domain through molecular docking. Confirming stability in dynamic simulations, this pioneering research establishes quercetin as a functional AvrM14 inhibitor, suggesting its potential as a therapeutic agent against Melampsora lini's harmful impact on plant health.