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Biomolecules, Volume 12, Issue 4

April 2022 - 120 articles

Cover Story: Dexamethasone is a corticosteroid commonly used as a treatment in hearing disorders for their positive impact on inner ear tissue water permeability.
In this metaphorical representation, dexamethasone is the dart and Aquaporin 2 (AQP2) the putative target finally identified with this work. The lateral chain of Arginine 187 is materialized in sticks.
Since Aquaporins (AQPs) are transmembrane water channels and are hence central in the regulation of transcellular water fluxes, we investigated the hypothesis that dexamethasone could impact water fluxes in the inner ear through direct interaction with AQP2. We addressed this question through unconstrained molecular dynamics simulations approaches that have shown that the dexamethasone molecule indeed reaches the target by itself and through its interaction with it impacts significantly the channel water permeability. View this paper.
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Biomolecules - ISSN 2218-273X