Discovery of new bianthrones and chlorinated bianthrones with cytotoxic activity against cancer cells from Penicillium hispanicum guided by HSQC-based DeepSAT
摘要Three new racemic bianthrones,including two pairs of(±)-penithrones A(1)and B(2),and a chlorinated derivative(±)-penithrone C(3),along with their biogenetic precursors(4–6)were discovered from the culture extract of the mangrove-derived fungus Penicillium hispanicum LA032 using HSQC-based DeepSAT.The structural elucidation of these new compounds was achieved through comprehensive integration of NMR spectroscopy,high-resolution mass spectrometry(HRESIMS),and NMR calculations with CP3 analysis.Compounds 1 and 2 exhibited significant cytotoxic activity against HeLa,HCT116,and MCF-7 cancer cell lines,with IC50 values ranging from 5.09±0.65 to 9.47±0.22 μmol/L.In addition,network pharmacology analysis and molecular dock- ing studies revealed Mitogen-Activated Protein Kinase 10(MAPK10)as a potential target of 1 for its anticancer effect.
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