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首页> 外文期刊>Biophysical Chemistry: An International Journal Devoted to the Physical Chemistry of Biological Phenomena >Orientation of immobilized antigens on common surfaces by a simple computational model: Exposition of SARS-CoV-2 Spike protein RBD epitopes
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Orientation of immobilized antigens on common surfaces by a simple computational model: Exposition of SARS-CoV-2 Spike protein RBD epitopes

机译：简单计算模型对共同表面上固定的抗原的定向：SARS-COV-2穗蛋白RBD表位的阐述

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摘要

The possibility of immobilizing a protein with antigenic properties on a solid support offers significant possibilities in the development of immunosensors and vaccine formulations. For both applications, the orientation of the antigen should ensure ready accessibility of the antibodies to the epitope. However, an experimental assessment of the orientational preferences necessarily proceeds through the preparation/isolation of the antigen, the immobilization on different surfaces and one or more biophysical characterization steps. To predict a priori whether favorable orientations can be achieved or not would allow one to select the most promising experimental routes, partly mitigating the time cost towards the final product. In this manuscript, we apply a simple computational model, based on united-residue modelling, to the prediction of the orientation of the receptor binding domain of the SARS-CoV-2 spike protein on surfaces commonly used in lateral-flow devices. These calculations can account for the experimental observation that direct immobilization on gold gives sufficient exposure of the epitope to obtain a response in immunochemical assays.
机译：将蛋白质固定在固体支持物上的抗原性能的可能性在免疫传感器和疫苗制剂的发育中提供了显着的可能性。对于这两个应用，抗原的取向应确保抗体对表位的可用性。然而，定向偏好的实验评估必然通过抗原的制备/分离进行，固定在不同表面上的固定和一种或多种生物物质表征步骤。为了预测先验，无论是否可以实现有利的取向，允许人们选择最有前途的实验路线，部分地减轻了最终产品的时间成本。在该稿件中，我们基于United-Reside Mucketing应用简单的计算模型，以预测SAR-COV-2刺蛋白的受体结合结构域的取向在横向流动装置中的表面上。这些计算可以考虑到实验观察，即直接固定对黄金的固定化给出表位的足够暴露，得到免疫化学测定中的反应。

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