Deciphering Molecular Mechanisms Involved in the Modulation of Human Aquaporins' Water Permeability by Zinc Cations: A Molecular Dynamics Approach

Overview

Journal Int J Mol Sci

Publisher MDPI

Specialties Biochemistry
Chemistry
Molecular Biology

Date 2024 Feb 24

PMID 38396944

Authors

Robin Mom

Stephane Rety

Vincent Mocquet

Daniel Auguin

Affiliations

Soon will be listed here.

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.

Citing Articles

Aquaporin Modulation by Cations, a Review.

Mom R, Mocquet V, Auguin D, Rety S Curr Issues Mol Biol. 2024; 46(8):7955-7975.

PMID: 39194687 PMC: 11353066. DOI: 10.3390/cimb46080470.

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