Perturbation of Lipid Bilayers by Biomimetic Photoswitches Based on Cyclocurcumin - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Journal of Chemical Information and Modeling Année : 2022

Perturbation of Lipid Bilayers by Biomimetic Photoswitches Based on Cyclocurcumin

Résumé

The use of photoswitches which may be activated by suitable electromagnetic radiation is an attractive alternative to conventional photodynamic therapy. Here, we report all-atom molecular dynamics simulation of a biomimetic photoswitch derived from cyclocurcumin and experiencing E/Z photoisomerization. In particular, we show that the two isomers interact persistently with a lipid bilayer modeling a cellular membrane. Furthermore, the interaction with the membrane is strongly dependent on the concentration, and a transition between ordered and disordered arrangements of the photoswitches is observed. We also confirm that the structural parameters of the bilayer are differently affected by the two isomers and hence can be modulated through photoswitching, offering interesting perspectives for future applications.

Domaines

Chimie
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Dates et versions

hal-04012609 , version 1 (02-03-2023)

Identifiants

Citer

Anastasiia Delova, Raúl Losantos, Jérémy Pecourneau, Yann Bernhard, Maxime Mourer, et al.. Perturbation of Lipid Bilayers by Biomimetic Photoswitches Based on Cyclocurcumin. Journal of Chemical Information and Modeling, 2022, 63 (1), pp.299-307. ⟨10.1021/acs.jcim.2c01152⟩. ⟨hal-04012609⟩
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