Metabolomics-Driven Bioactivity-Guided Isolation and Molecular Docking Reveal Antibreast Cancer Metabolome Heterogeneity in Polygonum spp. (PubMed, Biomed Chromatogr) - Aug 18, 2026 - "Multivariate data analysis identified chlorogenic acid, 6-O-galloylarbutin, and procyanidin B1 as key markers of PV, whereas naringenin-O-glucoside, catechin, and crataegunin D characterized PB...Bioassay-guided isolation yielded 8 compounds, including crataegunin D, which isolated from Polygonaceae plants for the first time, displaying IC50 values of 24.91 ± 2.43 and 20.65 ± 1.77 μM against 4T1 and MDA-MB-231 cells, respectively. Molecular docking revealed binding free energies (ΔG) ranging from -52 to -48 kcal/mol targeting EGFR and CDK receptors."
Heterogeneity • Journal • Breast Cancer • Oncology • Solid Tumor • Triple Negative Breast Cancer • EGFR
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Feng Wei; Houwen Zhang; Huiying Fu; Kaiyu Shen; Omar M Khattab; Qi Yuan; Qiyang Shou; Wenjing Zheng; Xiaoqin Hu; Yajie Wang
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