Mechanical Strength and Structural Basis of β2 Integrin to Mediate Neutrophil Accumulation on Liver Sinusoidal Endothelial Cells: A Study Using Atomic Force Microscopy and Molecular Dynamics Simulations
Ning Li1, 2, 3, Xiao Zhang1, 2, Peiwen Li1, 2, Hao Yang1, 2, Chunfang Tong1, 2, Shouqin Lü1, 2, Yan Zhang1, 2, Zhiyi Ye3, Jun Pan3, *, Mian Long1, 2, *
CMES-Computer Modeling in Engineering & Sciences, Vol.116, No.2, pp. 263-279, 2018, DOI:10.31614/cmes.2018.04079
(This article belongs to the Special Issue: Innovations and Current Trends in Computational Cardiovascular Modeling: Molecular, Cellular, Tissue and Organ Biomechanics with Clinical Applications)
Abstract Neutrophil (PMN) accumulation on liver sinusoidal endothelial cells (LSECs) is crucial to pathogen clearance and tissue damage in the liver sinusoids and controlled by a series of adhesion molecules expressed on the surface of PMNs and LSECs. The role of lymphocyte function-associated antigen-1 (LFA-1) and macrophage-1 antigen (Mac-1) in this process is still contentious. Here we compared the dynamic force spectra of the binding of β2 integrin to intercellular adhesion molecule-1 (ICAM-1) on LSECs using atomic force microscopy (AFM) and performed free and steered molecular dynamics (MD) simulations to analyze their structural bases of LFA-1-… More >