AUTHOR=Gao Ying , Frank Marian , Teusch Nicole , Woschko Dennis , Janiak Christoph , Mándi Attila , Kurtán Tibor , Hartmann Rudolf , Schiedlauske Katja , van Geelen Lasse , Kalscheuer Rainer , Kaiser Jesko , Gertzen Christoph G. W. , Gohlke Holger , Wang Bin-Gui , Proksch Peter , Liu Zhen 

TITLE=Aplospojaveedins A–C, unusual sulfur-containing alkaloids produced by the endophytic fungus Aplosporella javeedii using OSMAC strategy

JOURNAL=Frontiers in Microbiology

VOLUME=15

YEAR=2024

URL=https://www.frontiersin.org/journals/microbiology/articles/10.3389/fmicb.2024.1458622

DOI=10.3389/fmicb.2024.1458622

ISSN=1664-302X

ABSTRACT=<p>Three sulfur-containing alkaloids aplospojaveedins A–C (1–3) with a hitherto undescribed carbon skeleton comprising octahy-dronaphthalene, <italic>α</italic>, <italic>β</italic>-unsaturated lactam and glycine-cysteine moieties were isolated from <italic>Aplosporella javeedii</italic>. Their structures were elucidated by 1D and 2D NMR spectroscopy, HR-MS, X-ray diffraction analysis, DFT-NMR and TDDFT-ECD calculations. A plausible biosynthetic pathway and putative targets are described. The blind docking suggested that 1–3 may have functional effects on several putative targets such as the GPCR cannabinoid receptor 2 or the integrin <italic>α</italic>5<italic>β</italic>1 complex.</p>