Moderate Constraint Facilitates Association and Force-Dependent Dissociation of HA-CD44 Complex.

ABSTRACT: Binding of cell surface glycoprotein CD44 to hyaluronic acid (HA) is a key event for mediating cell adhesion, motility, metastasis, inflammatory responses and tumor development, but the regulation mechanism and its molecular basis under diverse mechanical constraints remain unclear. We herein investigated interaction of CD44 HABD (HA binding site domain) to HA through free and steered molecular dynamics (MD) simulations as well as atomic force microscope (AFM) measurement using different constraints on HA. The middle, two ends or both of the constrained HA chains were fixed for MD simulations, while one and two biotin-avidin linkage or physical absorption were used to immobilize HA on substrates for AFM experiments, to model HA chains with low, moderate and high HA flexibilities, respectiv

SUBMITTER: Yao Z 

PROVIDER: S-EPMC9917194 | biostudies-literature | 2023 Jan

REPOSITORIES: biostudies-literature