CD44-配体相互作用在炎症反应、淋巴细胞归巢等多种生理、病理过程中起重要作用，而E-选择素，P-选择素与透明质酸是CD44在炎症反应中介导白细胞募集的主要作用配体,但是其分子作用机制尚不清楚。本项目以CD44-E-选择素/P-选择素/透明质酸相互作用体系为对象，以其在炎症反应中的分子作用机制为科学问题，结合实验测量与模拟预测手段，开展以下研究：1）定量测量CD44-E-选择素/P-选择素/透明质酸相互作用介导的细胞层次粘附动力学及其力学调控规律；2）定量测量CD44-E-选择素/P-选择素/透明质酸相互作用分子反应动力学及其力学调控规律；3）模拟预测CD44-E-选择素/P-选择素/透明质酸相互作用微观结构动力学特征。采用细胞-分子层次的“宏观”特征与原子层次的“微观”机制相结合的研究思路为深入认识其结构-功能关系提供基础数据，并为未来理性分子功能改造提供新线索。

CD44-ligand interactions play key roles in many physiological and pathological processes, such as inflammation cascade and lymphocyte homing, and E-selectin, P-selectin and hyaluronan (HA) are the main ligands for binding CD44 to modulate leukocyte recruitment in inflammation cascade, but corresponding molecular mechanism remains unclear. The scientific issue of this project focuses on investigating the molecular mechanism for elucidating the function of CD44-E-selectin/P-selectin/HA interactions. With the combination of experimental measurements and simulation predictions, the scientific aims include: 1) Quantify the cellular adhesion dynamics modulated by CD44- E-selectin/P-selectin/HA interactions and the impact of external force; 2) Quantify the molecular binding kinetics of CD44-E-selectin/P-selectin/HA interactions and the impact of external force; 2) Predict the micro-structural features of CD44- E-selectin/P-selectin/HA interactions. Upon the combination of cellular and molecular “macro” features and atomic “micro” mechanism, the goal of this project is to deepen the understanding of structure-function relationship of CD44- E-selectin/P-selectin/HA interactions, and to offer new insight into rational reform for molecular new function.