Roterman Irena, Stapor Katarzyna, Dułak Dawid, Szoniec Grzegorz, Konieczny Leszek
Department of Bioinformatics and Telemedicine, Jagiellonian University-Medical College, 30-688 Krakow, Medyczna 7, Poland.
Faculty of Automatic, Electronics and Computer Science, Department of Applied Informatics, Silesian University of Technology, Akademicka 16, 44-100 Gliwice, Poland.
Front Biosci (Schol Ed). 2025 Mar 20;17(1):27967. doi: 10.31083/FBS27967.
The ambient conditions that ensure the expected protein folding activity are important in directing the protein folding process. Water favors the formation of a centrally located hydrophobic protein nucleus with exposed polar residues for preferable contact with polar water molecules. Different ambient conditions are created by the hydrophobic cell membrane, which also provides an environment for the activity of proteins, including channels responsible for transporting multiple molecules, the concentration of which is controlled as part of homeostasis. Aquaporins are transmembrane proteins responsible for primarily transporting water and low-molecular-weight compounds.
The fuzzy oil drop (FOD) model was applied in its modified form, FOD-M, for the analysis. The FOD model allows quantitative assessment of protein structure adaptation to external conditions, ensuring its biological activity.
The aquaporins studied in this work revealed adaptations for stabilizing hydrophobic environments and transporting polar molecules.
A significant degree of similarity was demonstrated in the structure of human aquaporins using FOD-M. This model enabled a quantitative assessment of the degree of adaptation to biological function achieved through an appropriate balance between micelle-like decomposition and appropriate modification due to the specificity of the environment that ensures adequate activity.
确保预期蛋白质折叠活性的环境条件对于指导蛋白质折叠过程至关重要。水有利于形成位于中心的疏水蛋白质核，其极性残基暴露在外，以便与极性水分子进行优先接触。疏水细胞膜创造了不同的环境条件，它也为蛋白质的活性提供了一个环境，包括负责运输多种分子的通道，这些分子的浓度作为体内平衡的一部分受到控制。水通道蛋白是负责主要运输水和低分子量化合物的跨膜蛋白。
应用改良形式的模糊油滴（FOD）模型，即FOD-M进行分析。FOD模型允许对蛋白质结构适应外部条件进行定量评估，以确保其生物活性。
在这项工作中研究的水通道蛋白显示出对稳定疏水环境和运输极性分子的适应性。
使用FOD-M证明了人类水通道蛋白结构有显著程度的相似性。该模型能够通过在胶束样分解和由于确保足够活性的环境特异性而进行的适当修饰之间进行适当平衡，对实现生物功能的适应程度进行定量评估。
