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

ABSTRACT 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‐ κ B). Among them, compounds 10 and 11 displayed obvious inhibitory activities against LPS‐induced NF‐ κ B with IC 50 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‐ κ B p65.