植物水孔蛋白和人工跨膜通道的分子模拟研究进展
Molecular Modeling of Aquaporins and Artificial Transmembrane Channels: a mini-review and perspective for plants
摘要：
水通道蛋白（Aquaporins，AQP）是一类广泛存在于古细菌、真细菌、真菌和动植物中的跨膜通道。这些蛋白质在水和小溶质跨生物细胞膜的运输中起主要作用，并维持活细胞的渗透平衡。从这个意义上说，近年来的许多工作都致力于了解它们的行为，包括在植物中，已经确定了5个主要的AQP组，其生理功能的细节仍然有开放的问题等待答案。在这个方向上，我们在文献中观察到很少的分子建模研究集中在植物水通道蛋白。它在对AQP的正确描述中产生了一个缺口，因为分子模拟使我们能够获得通常无法通过实验获得的信息。同样，已经做出了许多努力来创建具有改进的性质的人工纳米通道。它有可能帮助人类（和植物）面对水资源压力-这是一个因气候变化而恶化的当前问题。在这篇简短的综述中，我们将回顾和讨论有关植物水通道蛋白和人工跨膜通道的重要计算研究。有了这个，我们的目标是展示分子建模社区如何能够（并且应该）帮助理解植物的AQP特性和功能，以及我们如何创建新的基于纳米技术的人工通道。
英文摘要：
Aquaporins (AQPs) are a family of transmembrane channels that are found from archaea, eubacteria, and fungi kingdoms to plants and animals. These proteins play a major role in water and small solutes transport across biological cell membranes and maintain the osmotic balance of living cells. In this sense, many works in recent years have been devoted to understanding their behavior, including in plants, where 5 major groups of AQPs have been identified, whose physiological function details still have open questions waiting for an answer. In this direction, we observed in the literature very few Molecular Modeling studies focusing on plant AQPs. It creates a gap in the proper depiction of AQPs since Molecular Simulations allow us to get information that is usually inaccessible by experiments. Likewise, many efforts have been made to create artificial nanochannels with improved properties. It has the potential to help humanity (and plants) to face water stress -- a current problem that will be worsened by Climate Change. In this short review, we will revisit and discuss important computational studies about plant aquaporins and artificial transmembrane channels. With this, we aim to show how the Molecular Modeling community can (and should) help to understand plants' AQPs properties and function and how we can create new nanotechnology-based artificial channels.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
