An Atomistic Investigation of Adsorption of Bone Morphogenetic Protein-2 on Gold with Nanoscale Topographies
An Atomistic Investigation of Adsorption of Bone Morphogenetic Protein-2 on Gold with Nanoscale Topographies
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DOI：
10.3390/surfaces5010010
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发表时间：
2022-03-01
期刊：
影响因子：
2
通讯作者：
Desai, Salil
中科院分区：
文献类型：
--
作者：
Marquetti, Izabele;Desai, Salil
生物化学线索介导的纳米级表面形貌影响干细胞向不同谱系的分化。本研究的重点是骨形态发生蛋白（BMP-2）在纳米图案金基质上的吸附行为，这有助于骨和软骨组织结构的分化。采用平面、柱状、线性光栅和深基线性光栅对金衬底进行了图像化处理，并在20 ns内研究了端对端构型的BMP-2构象。线性光栅深底图案的吸附能最高，约为125 kJ/mol，其旋转半径保持在18.5埃，表明其吸附行为稳定。二级结构包括α -螺旋和β -薄片没有变性，因此，BMP-2的生物利用度，对于深线性光栅模式。腕部和指关节表位的Ramachandran图显示没有位阻，并为I型和II型受体提供了结合位点。深线光栅衬底在与金衬底的5埃范围内具有最高的接触数（88个原子），表明其在所考虑的衬底中具有优先的纳米尺度图案选择。这项研究为BMP-2在纳米级金衬底上的原子吸附提供了新的见解，并在生物医学植入物和再生医学中有应用。
Nanoscale surface topographies mediated with biochemical cues influence the differentiation of stem cells into different lineages. This research focuses on the adsorption behavior of bone morphogenetic protein (BMP-2) on nanopatterned gold substrates, which can aid in the differentiation of bone and cartilage tissue constructs. The gold substrates were patterned as flat, pillar, linear grating, and linear-grating deep based, and the BMP-2 conformation in end-on configuration was studied over 20 ns. The linear grating deep substrate pattern had the highest adsorption energy of around 125 kJ/mol and maintained its radius of gyration of 18.5 angstrom, indicating a stable adsorption behavior. Secondary structures including alpha-helix and beta-sheet displayed no denaturation, and thus, the bioavailability of the BMP-2, for the deep linear-grating pattern. Ramachandran plots for the wrist and knuckle epitopes indicated no steric hindrances and provided binding sites to type I and type II receptors. The deep linear-grating substrate had the highest number of contacts (88 atoms) within 5 angstrom of the gold substrate, indicating its preferred nanoscale pattern choice among the substrates considered. This research provides new insights into the atomistic adsorption of BMP-2 on nanoscale topographies of a gold substrate, with applications in biomedical implants and regenerative medicine.