Bioactive Secondary Metabolites From the Marine-derived Fungus Penicillium steckii SCSIO41025

One new glycoside derivative, 9-O-α-D-glucose-aspyranochromenone A (1), and 13 known compounds (2-14) were isolated from the marine fungus Penicillium steckii SCSIO 41025. Their structures were established by spectroscopic methods, computational electronic circular dichroism, and single-crystal X-ray diffraction. All of the isolated compounds (1-14) were evaluated for their inhibitory activities against lipopolysaccharide (LPS)-induced nuclear factor kappa-B (NF-κB). Among them, compounds 10 and 11 displayed obvious inhibitory activities against LPS-induced NF-κB with IC₅₀ values of 15.24 ± 1.08 and 24.91 ± 1.06 µM, respectively. Furthermore, molecular docking analysis showed a strong binding affinity of compound 11 for the NF-κB p65.