Department of Biomedical Engineering, University of Melbourne, Melbourne, Australia.
Weldon School of Biomedical Engineering, Purdue University, West Lafayette, Indiana, United States of America.
PLoS Comput Biol. 2022 Jul 8;18(7):e1010257. doi: 10.1371/journal.pcbi.1010257. eCollection 2022 Jul.
Cadherins build up clusters to maintain intercellular contact through trans and cis (lateral) bindings. Meanwhile, interactions between cadherin and the actin cytoskeleton through cadherin/F-actin linkers can affect cadherin dynamics by corralling and tethering cadherin molecules locally. Despite many experimental studies, a quantitative, mechanistic understanding of how cadherin and actin cytoskeleton interactions regulate cadherin clustering does not exist. To address this gap in knowledge, we developed a coarse-grained computational model of cadherin dynamics and their interaction with the actin cortex underlying the cell membrane. Our simulation predictions suggest that weak cis binding affinity between cadherin molecules can facilitate large cluster formation. We also found that cadherin movement inhibition by actin corralling is dependent on the concentration and length of actin filaments. This results in changes in cadherin clustering behaviors, as reflected by differences in cluster size and distribution as well as cadherin monomer trajectory. Strong cadherin/actin binding can enhance trans and cis interactions as well as cadherin clustering. By contrast, with weak cadherin/actin binding affinity, a competition between cadherin-actin binding and cis binding for a limited cadherin pool leads to temporary and unstable cadherin clusters.
钙黏蛋白通过横向(顺式)和纵向(反式)结合形成簇来维持细胞间的接触。同时,通过钙黏蛋白/F-肌动蛋白连接物与肌动蛋白细胞骨架的相互作用,可以通过局部聚集和束缚钙黏蛋白分子来影响钙黏蛋白的动力学。尽管有许多实验研究,但对于钙黏蛋白和肌动蛋白细胞骨架相互作用如何调节钙黏蛋白聚集的定量、机制理解并不存在。为了解决这一知识空白,我们开发了一个钙黏蛋白动力学及其与细胞膜下肌动蛋白皮层相互作用的粗粒化计算模型。我们的模拟预测表明,钙黏蛋白分子之间较弱的顺式结合亲和力可以促进大簇的形成。我们还发现,肌动蛋白聚集对钙黏蛋白运动的抑制作用取决于肌动蛋白丝的浓度和长度。这导致钙黏蛋白聚集行为发生变化,反映在簇大小和分布以及钙黏蛋白单体轨迹的差异上。强钙黏蛋白/肌动蛋白结合可以增强反式和顺式相互作用以及钙黏蛋白聚集。相比之下,在钙黏蛋白/肌动蛋白结合亲和力较弱的情况下,钙黏蛋白-肌动蛋白结合与顺式结合之间的竞争会导致有限钙黏蛋白池中的钙黏蛋白暂时和不稳定聚集。