Abstract In this study, two ethanolic extracts, from Stokesia aster (Slae26) and Geranium pratense (Gpre36) respectively, were evaluated in order to assess the cytotoxic activity and potential antiproliferative activity upon the nontumorigenic human epithelial cell line derived from the mammary gland (MCF-12A) and the human breast tumor cell line (BT-20). The selection of the plant species was done on the basis of their chemical composition, specifically combinations of luteolin derivatives with caffeic and gallic acid derivatives. Therefore, the S. laevis ethanolic extract proved its capacity to inhibit the viability of both normal and tumor breast cell lines (i.e., up to 90% cell viability inhibition, IC50 = 42 µg/mL). On the contrary, the G. pratense ethanolic extract proved weak stimulatory effects on the viability of the two human breast cell lines studied. The obtained results were discussed in the contexts of computational studies and drug-likeness bioactivity of seven common luteolin derivatives: luteolin, luteolin-7-O-glucoside/cynaroside, luteolin-5-O-glucoside/galuteolin, luteolin-6-C-glucoside/isoorientin, luteolin-8-C-glucoside/orientin, luteolin-3′,4′-di-O-glucoside and luteolin-7,3′-di-O-glucoside. Computational studies have revealed that the hydrophilic behavior of luteolin derivatives (log P values) does not follow other tested parameters (e.g., polar surface area values), possibly explaining different efficacy concerning the biological properties in vitro. These predictions could be a starting point for studies on the biochemical mechanism by which luteolin derivatives induce biological effects. Graphical Abstract The localization of frontier molecular orbitals (FMOs) for LUTEOLIN: HOMO (the highest occupied molecular orbital) and LUMO (the lowest unoccupied molecular orbital).

中文翻译：

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Stokesia laevis 和 Geranium pratense 两种植物提取物的比较研究：多酚谱、细胞毒作用和抗增殖活性

摘要 在本研究中，评估了来自 Stokesia aster (Slae26) 和 Geranium pratense (Gpre36) 的两种乙醇提取物，以评估对源自乳腺 (MCF) 的非致瘤性人上皮细胞系的细胞毒活性和潜在的抗增殖活性。 -12A) 和人乳腺肿瘤细胞系 (BT-20)。植物种类的选择是根据它们的化学成分进行的，特别是木犀草素衍生物与咖啡酸和没食子酸衍生物的组合。因此，S. laevis 乙醇提取物证明其能够抑制正常和肿瘤乳腺细胞系的活力（即高达 90% 的细胞活力抑制，IC50 = 42 µg/mL）。相反，G. pratense 乙醇提取物证明对所研究的两种人类乳腺细胞系的活力有微弱的刺激作用。获得的结果在七种常见木犀草素衍生物的计算研究和药物相似生物活性的背景下进行了讨论：木犀草素、木犀草素-7-O-葡萄糖苷/cynaroside、木犀草素-5-O-葡萄糖苷/galuteolin、木犀草素-6-C- glucoside/isoorientin、luteolin-8-C-glucoside/orientin、luteolin-3',4'-di-O-glucoside 和luteolin-7,3'-di-O-glucoside。计算研究表明木犀草素衍生物的亲水行为（log P 值）不遵循其他测试参数（例如极性表面积值），这可能解释了关于体外生物学特性的不同功效。这些预测可能是研究木犀草素衍生物诱导生物效应的生化机制的起点。图形摘要 LUTEOLIN 前沿分子轨道 (FMO) 的定位：HOMO（最高占据分子轨道）和 LUMO（最低未占据分子轨道）。