2026-10-13T03:01:47Z https://api.figshare.com/v2/oai

oai:figshare.com:article/33968653 2026-09-22T19:20:06Z category_4 category_12 category_14 category_19 category_21 category_873 category_734 category_106 portal_87 item_type_3 month_year_09_2026

Elucidating the potential anti-liver cancer mechanisms of the medicinal food <i>Rosa roxburghii</i> Tratt. by integrating HPLC-Q Exactive MS/MS, network pharmacology, and <i>in vitro</i> validation Miao Zeng (4318480) Huifang Chai (2039839) Yongjia Shu (21266800) Min Liu (45756) Danli Wang (9230903) Tian Lu (1624171) Biochemistry Cell Biology Molecular Biology Pharmacology Biotechnology Chemical Sciences not elsewhere classified Biological Sciences not elsewhere classified Science Policy HPLC-Q Exactive Plus MS/MS Rosa roxburghii Tratt flavonoids liver cancer network pharmacology molecular docking <p>This study integrated HPLC-Q Exactive Plus MS/MS analysis, network pharmacology, molecular docking, and <i>in vitro</i> assays to investigate the anti-liver cancer mechanisms of flavonoid components from <i>Rosa roxburghii</i> Tratt. (RRT) ethanol extract. A total of 52 flavonoids were identified, including 15 active compounds associated with 229 overlapping drug–disease targets. PPI analysis highlighted TP53, EGFR, and HSP90AA1 as core targets, while KEGG analysis indicated the PI3K-Akt pathway as a key regulatory mechanism. Molecular docking confirmed strong binding affinities between the active components and these targets. <i>In vitro</i> experiments showed that crude RRT ethanolic extract significantly inhibited HepG2 cell proliferation and migration, with anti-hepatoma activity comparable to semi-purified flavonoids and no statistically significant difference (<i>p</i> > 0.05). The study indicated that RRT ethanolic extract has potential anti-hepatoma activity, largely associated with the total flavonoid fraction, particularly neobavaisoflavone and chrysin, through modulation of core targets including TP53 and EGFR and signalling pathways including PI3K-Akt.</p> 2026-09-22T19:20:06Z Dataset Dataset 10.6084/m9.figshare.33968653.v1 https://figshare.com/articles/dataset/Elucidating_the_potential_anti-liver_cancer_mechanisms_of_the_medicinal_food_i_Rosa_roxburghii_i_Tratt_by_integrating_HPLC-Q_Exactive_MS_MS_network_pharmacology_and_i_in_vitro_i_validation/33968653 CC BY 4.0