分子刚度对膜锚定受体-配体结合动力学影响的理论与模拟研究

Cell adhesion plays an important role in most biological processes in human body. Cell adhesion is mainly determined by the binding kinetics of specific molecules (called receptors and ligands) anchored on the cell membrane. Although it is known that the binding relation of specific molecules is affected by various factors such as external forces and cell membrane fluctuations, it is still unclear how the molecular stiffness affects the binding kinetics of the membrane-anchored receptors and ligands. Recent studies on the strong infectivity of the coronavirus reported the importance of specific molecular stiffness to the adhesion between viruses and cells. A coarse-grained model of biomembrane adhesion was developed, and molecular simulation and theoretical analysis were introduced to reveal the role of molecular stiffness in adhesion. The results show that, there is always an optimal membrane spacing and an optimal molecular stiffness value, making the adhesion molecular affinity and the binding kinetic parameters reach the maximum values. This study can not only deepen the understanding of cell adhesion, but also help guide drug design and vaccine development.