Affinity Selection-Mass Spectrometry for the Identification of Ligands of Acetylcholinesterase from <i>Topsentia ophiraphidites</i> and Docking Studies for the Dereplicated Ligands.

ABSTRACT: Acetylcholinesterase (AChE) inhibition has been successful for the treatment of Alzheimer's disease and still stands as an important target in the search for novel ligands. In this context, affinity selection-mass spectrometry (AS-MS) has been acknowledged as a high-throughput screening (HTS) technique for large molecular libraries in drug discovery programs and natural product investigations. In this work, an AS-MS assay with AChE immobilized onto magnetic beads (AChE-MB) has been used to search for ligands in samples of the sponge Topsentia ophiraphidites collected in the archipelago of Fernando de Noronha, Brazil. Ligand dereplication disclosed 6-desmethyl-6-ethyl-9,10-dihydrospongosoritin A, 3,5-dibromo-O-methyltyrosine, 3-bromo-5-iodo-O-methyltyrosine, and 3,5-di-

SUBMITTER: da Silva LRG 

PROVIDER: S-EPMC12573006 | biostudies-literature | 2025 Oct

REPOSITORIES: biostudies-literature