Investigating von Willebrand Factor and Extracellular Vesicle Interactions Under Shear Flow

The interaction between von Willebrand factor (vWF) and extracellular vesicles (EVs) under hydrodynamic flow conditions remains largely unexplored, despite its potential implications in events such as vascular leakage and systemic coagulation. This study introduces a computational approach using Langevin dynamics to investigate these interactions, focusing on how EV properties impact vWF conformational behavior under varying shear stress conditions. Langevin dynamics accurately captures the stochastic movement and binding behavior of vWF and EVs. This model aims to elucidate how shear stress, particularly above and below the critical threshold for vWF unfurling, along with the physical properties of EVs, such as size and surface charge, influence vWF activity and potentially its role in promoting platelet aggregation and endothelial adhesion. It is observed that charged interactions between vWF and EV alleviate the tendency of vWF unfurling even at elevated shear rates. This implies a change in vWF thrombotic activity. Simulations set the stage for understanding the mechanistic pathways of bonded and nonbonded vWF-EV interactions, which could lead to significant advancements in therapeutic strategies for managing thrombosis and inflammatory diseases. By pioneering this computational approach, we provide a foundation for future research into the biomechanical and biochemical factors that govern vWF and EV interactions in dynamic blood flow environments.