Molecular modeling the adsorption behavior of bone morphogenetic protein-2 on hydrophobic and hydrophilic substrates
Molecular modeling the adsorption behavior of bone morphogenetic protein-2 on hydrophobic and hydrophilic substrates
复制标题
DOI：
10.1016/j.cplett.2018.06.015
复制
发表时间：
2018-08-16
影响因子：
2.8
通讯作者：
Desai, Salil
中科院分区：
文献类型：
--
作者：
Marquetti, Izabele;Desai, Salil
用分子动力学模拟方法研究了BMP-2在疏水金和亲水性氮化硅上的吸附。溶解介质的润湿行为直接指导蛋白质与底物的相互作用，影响蛋白质的吸附。盐溶液限制了蛋白质在金上的运动，限制了对疏水和带电残基的吸附，同时保留了二级结构。更强的吸附发生在氮化硅上，在那里蛋白质有更大的灵活性与表面相互作用，导致β-折叠结构在两个方向上被破坏。这项研究有助于理解BMP-2在四个垂直方向上与医学相关材料的吸附行为。(C)2018爱思唯尔B.V.保留所有权利。
Adsorption of BMP-2 on hydrophobic gold and hydrophilic silicon nitride is studied using molecular dynamics simulations. The wetting behavior of the dissolution media directly guided the protein-substrate interaction, impacting the protein adsorption. The saline solution restricted the movement of the protein on gold, limiting adsorption to hydrophobic and charged residues while preserving the secondary structure. Stronger adsorption occurred on silicon nitride where the protein had more flexibility to interact with the surface leading to the disruption of beta-sheet structures in two orientations. This research contributes to the understanding of BMP-2 adsorption behavior in four orthogonal orientations with medically relevant materials. (C) 2018 Elsevier B.V. All rights reserved.