New Benzaldehyde Derivatives From the Soft Coral-Associated Epiphytic Fungus Aspergillus Sp. EGF 15-0-3

Two new benzaldehyde derivatives, aspergitones A (1) and B (2), along with seven known analogues 3-9, were isolated from the soft coral-associated epiphytic fungus Aspergillus sp. EGF 15-0-3. Their structures were elucidated using 1D and 2D nuclear magnetic resonance (NMR) spectroscopy and high-resolution electrospray ionization mass spectrometry (HRESIMS), whereas the absolute configuration of 1 was determined through the experimental and computational ECD analysis. On the basis of the molecular docking and activity assays against the antitumor targets tyrosyl-DNA phosphodiesterases 1 and 2 (TDP1 and TDP2), compound 7 was found to be a potential dual inhibitor against TDP1 and TDP2, whereas 5 showed the strongest inhibition against TDP1.