Molecular dynamics simulation of shear- and stretch-induced dissociation of P-selectin/PSGL-1 complex.

ABSTRACT: By mediating the tethering and rolling of leukocytes on vascular surfaces, the interactions between P-selectin and the P-selectin glycoprotein ligand 1 (PSGL-1) play crucial roles during inflammation cascade. Tensile stretch produced by rolling leukocytes and shear stress exerted by blood flow constitute the two types of mechanical forces that act on the P-selectin/PSGL-1 bond. These forces modulate not only dissociation kinetics of this bond, but also the leukocyte adhesion dynamics. However, the respective contribution of the two forces to bond dissociation and to the corresponding microstructural bases remains unclear. To mimic the mechanical microenvironment, we developed two molecular dynamics approaches; namely, an approach involving the shear flow field with a controlled velocity gr

SUBMITTER: Kang Y 

PROVIDER: S-EPMC3250688 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature