1 research outputs found
A MassQL-Integrated Molecular Networking Approach for the Discovery and Substructure Annotation of Bioactive Cyclic Peptides
The marine sponge-derived fungus Stachylidium
bicolor 293 K04 is a prolific producer of specialized metabolites,
including
certain cyclic tetrapeptides called endolides, which are characterized
by the presence of the unusual amino acid N-methyl-3-(3-furyl)-alanine.
This rare feature can be used as bait to detect new endolide-like
analogs through customized fragment pattern searches of tandem mass
spectrometry data using the Mass Spec Query Language (MassQL). Here,
we integrate endolide-specific MassQL queries with molecular networking
to obtain substructural information guiding the targeted isolation
and structure elucidation of the new proline-containing endolides
E (1) and F (2). We showed that endolide
F (but not E) is a moderate antagonist of the arginine vasopressin
V1A receptor, a member of the G protein-coupled receptor
superfamily