Forced diffusion of water molecules through aquaporin-5 biomembrane; a molecular dynamics study.

ABSTRACT: Aquaporins (AQPs) are protein channels located across the cell membrane which conduct the water permeation through the cell membrane. Different types of AQPs exist in human organs and play vital roles, as the malfunction of such protein membranes can lead to life-threatening conditions. A specific type of AQP, identified as AQP5, is particularly essential to the generation of saliva, tears and pulmonary secretions. We have adopted Molecular Dynamics (MD) simulation to analyze the water permeation and diffusion in AQP5 structure in a 0.5 microsecond simulation time window. The MD numerical simulation shows the water permeability of the human AQP5 is in the nominal range for other members of human aquaporins family. In addition, we have considered the effect of the osmotic water diffusion an

SUBMITTER: Alishahi M 

PROVIDER: S-EPMC6353642 | biostudies-literature | 2018

REPOSITORIES: biostudies-literature