2026/01/01 by Chao Liu, Jianglei Cun, Bing Hu +5 · 1 voice
Medicine · Biochemistry, Genetics and Molecular Biology · #Berberine and alkaloids research #Synthesis and Biological Activity #Metabolomics and Mass Spectrometry Studies
paper · doi:10.1515/chem-2025-0245
openalex publication_date 2026/01/01 · openalex created_date 2026/06/14 · openalex updated_date 2026/07/18
Abstract Monotropa uniflora is a saprophytic plant with unexplored medicinal potential. In this study, the salicylic acid (SA)-induction was applied to M. uniflora for the first time. Coupled with a systematic research framework integrating data-driven analysis, computational prediction, and experimental validation, we investigated the active components of M. uniflora and their molecular mechanisms against colorectal cancer (CRC). Untargeted metabolomics identified 1,644 metabolites, with 458 being differentially expressed after SA induction. Notably, levels of secondary metabolites such as dalbergin (DL) and sanguinarine (SAN) were significantly up-regulated. Network pharmacology identified polyporusterone G, betavulgarin, DL, SAN, and deoxynivalenol as core candidates targeting key proteins like STAT3 and EGFR. Molecular docking confirmed strong binding (binding energy ≤ −5 kcal/mol), with SAN exhibiting particularly high affinity for MAPK3 (ΔG = −10.7 kcal/mol). In vitro validation showed that both DL and SAN potently inhibited the viability of HCT116 and SW480 cells. DL exhibited IC 50 values as low as 2.268 μM (SW480, 48 h), while SAN showed an IC 50 of 3.479 μM (SW480, 48 h). This study is the first to apply SA-induction to M. uniflora , systematically identifying DL and SAN as key anti-CRC constituents through an integrated approach, thereby providing a foundation for its development as a source of anti-CRC agents.