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首页> 外文会议>Society for Biomaterials Transaction Annual Meeting vol.29 pt.1; 20060426-29; Pittsburgh,PA(US) >Molecular Modeling of Cell Adhesion Peptide Adsorption on Hydroxyapatite
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Molecular Modeling of Cell Adhesion Peptide Adsorption on Hydroxyapatite

机译：羟基磷灰石吸附细胞粘附肽的分子模型

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摘要

Molecular modeling has proven useful for investigating protein-substrate and peptide-substrate interactions in calcite, calcium oxalate, and apatite systems. Insight pertaining to the interactions of oligopeptides with biominerals can be deduced from this type of modeling, such as adsorption conformation. While most biomolecular modeling has been performed on organic substrates, this initial work strives to model the interaction of an organic molecule with an inorganic lattice. Developing bioactive bone tissue engineered constructs that can recruit and direct cell behavior towards an osteogehic lineage has been increasingly investigated. Strategies of biomaterial-induced cell change include using calcium phosphate substrates and surface modification via peptides adsorption. Peptide sequences for bone tissue have been designed to mimic sections of proteins such as bone sialoprotein (BSP), osteopontin, fibronectin, statherin, collagen, and osteonectin. The goal of this work is, to investigate the conformation and adsorption energies of bone specific peptides on hydroxyapatite (HA). An established BSP peptide (EEEEEEEPRGDT), RGD, and RGE were modeled on a [010] step on the HA on a (001) plane using an empirical potential approach.
机译：分子建模已被证明可用于研究方解石，草酸钙和磷灰石系统中蛋白质-底物和肽-底物的相互作用。寡肽与生物矿物质相互作用的见解可从这种类型的模型中得出，例如吸附构象。虽然大多数生物分子建模都是在有机基质上进行的，但这项最初的工作致力于对有机分子与无机晶格的相互作用进行建模。越来越多地研究了开发具有生物活性的骨组织工程化构建体，该构建体可以募集并将细胞行为引导至骨质谱系。生物材料诱导的细胞变化策略包括使用磷酸钙底物和通过肽吸附进行表面修饰。已经设计出用于骨组织的肽序列，以模拟蛋白质的片段，例如骨唾液蛋白（BSP），骨桥蛋白，纤连蛋白，斯坦汀，胶原蛋白和骨连接蛋白。这项工作的目的是研究羟基磷灰石（HA）上的骨特异性肽的构象和吸附能。已建立的BSP肽（EEEEEEEPRGDT），RGD和RGE使用经验潜力方法在（001）平面上的HA上的[010]步骤上建模。

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