| Autor: |
Delova A; Université Paris Cité and CNRS, ITODYS, F-75006 Paris, France., Losantos R; Université Paris Cité and CNRS, ITODYS, F-75006 Paris, France.; Departamento de Química, Centro de Investigación en Síntesis Química, Universidad de La Rioja, 26006 Logroño, Spain., Pecourneau J; Université de Lorraine CNRS, L2CM UMR 7053, F-54000 Nancy, France., Bernhard Y; Université de Lorraine CNRS, L2CM UMR 7053, F-54000 Nancy, France., Mourer M; Université de Lorraine CNRS, L2CM UMR 7053, F-54000 Nancy, France., Pasc A; Université de Lorraine CNRS, L2CM UMR 7053, F-54000 Nancy, France., Monari A; Université Paris Cité and CNRS, ITODYS, F-75006 Paris, France. |
| Abstrakt: |
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. |
