Department of Chemistry, Faculty of Science, Kasetsart University, Bangkok, Thailand.
National Nanotechnology Center, National Science and Technology Development Agency, Thailand Science Park, Khlong Luang, Pathum Thani, Thailand.
Biopolymers. 2021 Mar;112(3):e23421. doi: 10.1002/bip.23421. Epub 2021 Feb 10.
Serum albumin (SA) is the most abundant carrier protein in blood. SA carries a diverse range of nutrients, drugs, and metal ions. It has wide clinical and biochemical applications. Human serum albumin (HSA) can be used as a biomarker for kidney and liver diseases. Aptasensor is one of potential HSA detection methods. HSA-specific aptamer was selected for HSA detection. In animals, bovine serum albumin (BSA) and canine serum albumins (CSA) share high sequence similarities to HSA. Thus, it is interesting to explore the possibility of using HSA-selective aptamer for BSA and CSA aptasensor. In this study, molecular dynamics (MD) simulations were initially employed to investigate the binding of aptamer to BSA and CSA in comparison to HSA. Like HSA, both BSA and CSA can bind aptamer, but different binding affinities are observed. BSA shows the tighter binding to aptamer than CSA. Domain III is found to be the aptamer-binding domain although no specific aptamer conformation is captured. However, in all cases, the aptamer utilizes the 3'-end to attach on an albumin surface. Both nucleobases and phosphate backbones on a DNA aptamer are important for albumin-aptamer complexation. Our results imply the possibility of using HSA-specific aptamer for BSA detection due to tighter binding observed, but may be less effective in CSA. However, the test in actual complicated condition must be further studied.
血清白蛋白（SA）是血液中最丰富的载体蛋白。SA 携带各种营养物质、药物和金属离子。它具有广泛的临床和生化应用。人血清白蛋白（HSA）可用作肾脏和肝脏疾病的生物标志物。适体传感器是潜在的 HSA 检测方法之一。选择了针对 HSA 的适体用于 HSA 检测。在动物中，牛血清白蛋白（BSA）和犬血清白蛋白（CSA）与人 HSA 具有高度的序列相似性。因此，探索使用 HSA 选择性适体用于 BSA 和 CSA 适体传感器的可能性很有趣。在这项研究中，最初使用分子动力学（MD）模拟来研究与 HSA 相比，适体与 BSA 和 CSA 的结合。与 HSA 一样，BSA 和 CSA 都可以与适体结合，但观察到不同的结合亲和力。BSA 与适体的结合比 CSA 更紧密。尽管没有捕获到特定的适体构象，但发现结构域 III 是适体结合域。然而，在所有情况下，适体都利用 3'-末端附着在白蛋白表面上。DNA 适体的核苷酸碱基和磷酸骨架对于白蛋白-适体复合物的形成都很重要。我们的结果表明，由于观察到更紧密的结合，使用 HSA 特异性适体进行 BSA 检测是可能的，但在 CSA 中可能效果较差。然而，必须进一步研究实际复杂条件下的测试。
