@article{Huo2026, 
author = {Ruiyun Huo and Minhui Ji and Gaoran Liu and Ling Liu},
title = {Discovery of new bianthrones and chlorinated bianthrones with cytotoxic activity against cancer cells from Penicillium hispanicum guided by HSQC-based DeepSAT},
year = {2026},
journal = {Mycology},
volume = {17},
number = {1},
pages = {147-158},
keywords = {network pharmacology, cytotoxic activity, Mangrove-derived fungus, Penicillium hispanicum, HSQC-based DeepSAT},
url = {https://www.sciopen.com/article/10.1080/21501203.2025.2526766},
doi = {10.1080/21501203.2025.2526766},
abstract = {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 docking studies revealed Mitogen-Activated Protein Kinase 10 (MAPK10) as a potential target of 1 for its anticancer effect.}
}