Discipline of Chemical Engineering Engineering, Indian Institute of Technology (IIT) Gandhinagar, Palaj, Gujarat 382355, India.
Center for Biomedical Engineering, Indian Institute of Technology (IIT) Gandhinagar, Palaj, Gujarat 382355, India.
ACS Appl Bio Mater. 2024 Feb 19;7(2):596-608. doi: 10.1021/acsabm.3c00125. Epub 2023 Jun 22.
The adsorption of green fluorescent protein (GFP) on silica surfaces has been the subject of growing interest due to its potential applications in various fields, including biotechnology and biomedicine. In this study, we used all-atom molecular dynamics simulations to investigate the charge-driven adsorption of wild type GFP and its supercharged variants on silica surfaces. The results showed that the positively charged variant of GFP adsorbed on the negatively charged silica surface with minimal loss in its secondary structure. Further studies were conducted to understand the role of surface charge distribution on two other positively charged variants of GFP, and the results showed that the orientation of GFP on silica can be easily tuned by careful mutations of the charged amino acid residues on the GFP. This study provides valuable molecular insights into the role of electrostatic-driven adsorption of GFP and highlights the importance of charge interactions in the adsorption process.
由于其在生物技术和生物医学等各个领域的潜在应用，绿色荧光蛋白（GFP）在硅表面的吸附已经成为研究热点。在这项研究中，我们使用全原子分子动力学模拟来研究野生型 GFP 及其超荷变体在硅表面的电荷驱动吸附。结果表明，带正电荷的 GFP 变体在其二级结构最小损失的情况下吸附在带负电荷的硅表面上。进一步的研究旨在了解表面电荷分布对 GFP 的另外两种带正电荷变体的影响，结果表明，通过仔细突变 GFP 上带电荷的氨基酸残基，很容易调整 GFP 在硅表面的取向。这项研究为 GFP 的静电驱动吸附作用提供了有价值的分子见解，并强调了电荷相互作用在吸附过程中的重要性。
