Light-modulated or photoswitchable ligands are molecules that change their conformation (e.g. cis-trans isomerization) with light of specific wavelength. This change modifies binding to their target receptor, thus opening the way for controlled receptor regulation, both in space and time. Recently, we have applied a multidisciplinary approach to design, synthesize and functionally characterize photoswitchable ligands targeting GABA and glycine receptors, the main ion channels involved in inhibitory neurotransmission in the brain. Experimental characterization combines <i>in vivo</i> tadpole behavioral assays (to screen photoswitchable molecules potentially affecting inhibitory neurotransmission) and <i>in vitro</i> electrophysiology and mutagenesis experiments (to identify the receptors most likely targeted by these ligands and their putative binding site). In parallel, computational modeling has provided a molecular explanation for the light-dependent effect and the receptor selectivity of these photoswitchable ligands. The discovery of improved light-modulated ligands opens the way towards the development of drug-based phototherapies and pharmacological tools to understand inhibitory circuits in intact animals.

Computational modeling of light-modulated ligands bound to their neuronal receptor targets

Macromolecular Chemistry: The Second Century

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ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.