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Cool new paper alert! 𝗜𝗻𝘁𝗲𝗴𝗿𝗮𝘁𝗶𝗻𝗴 𝗠𝗮𝘀𝘀𝗤𝗟 𝗮𝗻𝗱 𝗠𝗼𝗹𝗲𝗰𝘂𝗹𝗮𝗿 𝗡𝗲𝘁𝘄𝗼𝗿𝗸𝗶𝗻𝗴 𝘁𝗼 𝗜𝗱𝗲𝗻𝘁𝗶𝗳𝘆 𝗕𝗶𝗼𝗮𝗰𝘁𝗶𝘃𝗲 𝗖𝗼𝗺𝗽𝗼𝘂𝗻𝗱𝘀 𝗶𝗻 𝙄𝙙𝙚𝙨𝙞𝙖 𝙥𝙤𝙡𝙮𝙘𝙖𝙧𝙥𝙖 𝗠𝗮𝘅𝗶𝗺 is a great example of how combining MassQL with molecular networking can cut through the noise and reveal bioactive compounds. Read more here: pubs.acs.org/doi/10.1021/....

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Integrating MassQL and Molecular Networking to Identify Bioactive Compounds in Idesia polycarpa Maxim Idesia polycarpa Maxim (Salicaceae) is a well-studied plant producing various hydroxycyclohexenone (HCH) ester derivatives, which constitute most of its secondary metabolites. However, these major metabolites have been reported as unrelated to the alpha-melanocyte stimulating hormone (α-MSH) induced microphthalmia-associated transcription factor (MITF) expression observed in B16F10 melanoma cells, suggesting they may not be responsible for the antimelanogenic effect previously seen with the crude extract. To resolve this discrepancy and identify the bioactive metabolites in the crude extracts, the chemical diversity of I. polycarpa was reanalyzed using Mass Spec Query Language (MassQL)-enhanced molecular networking analysis, which indicated the presence of molecular families of phenolic glycosides without HCH esters. Following the MassQL-guided strategy to uncover the compounds responsible for the bioactivity, a targeted isolation study yielded five previously undescribed compounds and three known compounds, consistent with the MassQL annotations. Notably, one of the isolated non-HCH ester compounds, compound 1, demonstrated significant inhibition of α-MSH-induced melanogenesis via tyrosinase inhibition and MITF downregulation. This finding provides a potential explanation for the previously observed antimelanogenic activity of the crude extract, addressing the inconsistency associated with the major metabolites. https://pubs.acs.org/doi/10.1021/acs.jnatprod.5c00551