PDF(Pubmed)
Abstract：
Aquaporins (AQPs) constitute a wide family of water channels implicated in all kind of physiological processes. Zinc is the second most abundant trace element in the human body and a few studies have highlighted regulation of AQP0 and AQP4 by zinc. In the present work, we addressed the putative regulation of AQPs by zinc cations in silico through molecular dynamics simulations of human AQP0, AQP2, AQP4, and AQP5. Our results align with other scales of study and several in vitro techniques, hence strengthening the reliability of this regulation by zinc. We also described two distinct putative molecular mechanisms associated with the increase or decrease in AQPs\' water permeability after zinc binding. In association with other studies, our work will help deciphering the interaction networks existing between zinc and channel proteins.
摘要：
水通道蛋白（AQP）构成了一系列涉及所有生理过程的水通道。锌是人体中第二丰富的微量元素，一些研究强调了锌对AQP0和AQP4的调节。在目前的工作中,我们通过对人类AQP0,AQP2,AQP4和AQP5的分子动力学模拟研究了硅硅中锌阳离子对AQPs的推定调控.我们的结果与其他研究规模和几种体外技术一致，因此，锌加强了这一规定的可靠性。我们还描述了与锌结合后AQPs水渗透性增加或减少相关的两种不同的推定分子机制。结合其他研究，我们的工作将有助于破译锌和通道蛋白之间存在的相互作用网络。
