Highlighting the hygroscopic capacities of apiogalacturonans.

Fiche publication

Date publication

mai 2023

Journal

Journal of molecular graphics & modelling

Auteurs

Membres identifiés du Cancéropôle Est :
Pr DAUCHEZ Manuel , Pr BAUD Stéphanie

Tous les auteurs :
Verzeaux L, Rao R, Vyumvuhore R, Belloy N, Aymard E, Baud S, Manfait M, Dauchez M, Closs B

Lien Pubmed

https://www.ncbi.nlm.nih.gov/pubmed/37270896

Résumé

To meet the needs of dehydrated skin, molecules with a high hygroscopic potential are necessary to hydrate it effectively and durably. In this context, we were interested in pectins, and more precisely in apiogalacturonans (AGA), a singular one that is currently only found in a few species of aquatic plants. As key structures in water regulation of these aquatic plants and thanks to their molecular composition and conformations, we hypothesized that they could have beneficial role for skin hydration. Spirodela polyrhiza is a duckweed known to be naturally rich in AGA. The aim of this study was to investigate the hygroscopic potential of AGA. Firstly, AGA models were built based on structural information obtained from previous experimental studies. Molecular dynamics (MD) simulations were performed, and the hygroscopic potential was predicted in silico by analyzing the frequency of interaction of water molecules with each AGA residue. Quantification of interactions identified the presence of 23 water molecules on average in contact with each residue of AGA. Secondly, the hygroscopic properties were investigated directly in vivo. Indeed, the water capture in the skin was measured in vivo by Raman microspectroscopy thanks to the deuterated water (D0) tracking. Investigations revealed that AGA significantly capture and retain more water in the epidermis and deeper than a placebo control. Not only do these original natural molecules interact with water molecules, but they capture and retain them efficiently in the skin.