Structural Insights into the Marine Alkaloid Discorhabdin G as a Scaffold towards New Acetylcholinesterase Inhibitors

• Published in: Marine Drugs
• Main Authors: Defant, Andrea, Carloni, Giacomo, Innocenti, Nicole, Trobec, Tomaž, Frangež, Robert, Sepčić, Kristina, Mancini, Ines
• Format: Article in Journal/Newspaper
• Language: English
• Published: country:CHE 2024
• Subjects: marine metabolite; drug design; organic synthesi; molecular docking; ADME prediction; acetylcholinesterase inhibition; Alzheimer’s disease; Antarctic; Vina; Antarc*
• Online Access: https://hdl.handle.net/11572/408035; https://doi.org/10.3390/md22040173

In this study, Antarctic Latrunculia sponge-derived discorhabdin G was considered a hit for developing potential lead compounds acting as cholinesterase inhibitors. The hypothesis on the pharmacophore moiety suggested through molecular docking allowed us to simplify the structure of the metabolite....