Julian Hofmann, Tiziana Ginex, Alba Espargaró, Matthias Scheiner, Sandra Gunesch, Marc Aragó, Christian Stigloher, Raimon Sabaté, F Javier Luque, Michael Decker
Many (poly-)phenolic natural products, for example, curcumin and taxifolin, have been studied for their activity against specific hallmarks of neurodegeneration, such as amyloid-β 42 (Aβ42) aggregation and neuroinflammation. Due to their drawbacks, arising from poor pharmacokinetics, rapid metabolism, and even instability in aqueous medium, the biological activity of azobenzene compounds carrying a pharmacophoric catechol group, which have been designed as bioisoteres of curcumin has been examined. Molecular simulations reveal the ability of these compounds to form a hydrophobic cluster with Aβ42, which adopts different folds, affecting the propensity to populate fibril-like conformations...
March 5, 2021: Chemistry: a European Journal