Erythrina subumbrans 是一种在撒哈拉以南非洲和印度西高止山脉发现的药用植物，它有望成为治疗癌症的生物活性化合物的潜在来源。在我们正在进行的民间药用植物研究中，我们报告了从 E. subumbrans 茎皮中分离出的类黄酮化合物及其对乳腺癌（MCF-7 和 T47D）和宫颈癌 (HeLa) 细胞系的细胞毒活性。本研究旨在从 E. subumbrans 的茎皮中分离次生代谢物并评估其细胞毒活性，以支持使用民间药用植物作为抗癌替代疗法。通过柱色谱法从 E. subumbrans 的茎皮中分离出 Isolupalbigenin。使用 MTT 测定评估针对乳腺癌（MCF-7 和 T47D）和宫颈癌（HeLa）细胞系的细胞毒性活性，而计算机研究则使用针对雌激素受体 α (ERα) 的分子对接和分子动力学进行评估。测定结果显示，isolupalbigenin 抑制 MCF-7 细胞的生长，IC50 为 31.62 µg∙mL-1，同时对正常人体细胞（Vero 细胞系）没有毒性。分子对接结果表明，isolupalbigenin 与 ERα 的结合亲和力低于雌二醇，而分子动力学模拟证实了 isolupalbigenin-ERα 复合物的稳定性，中位均方根偏差（RMSD）为 2.80 Å。毒性预测表明，isolupalbigenin 引起肝毒性或致癌性的可能性较小，而药代动力学预测表明，isolupalbigenin 具有较高的肠道吸收率和中等的 Caco2 渗透性。此外，异狼红皂苷元预计具有中等分布体积 (Vd)。从 E. subumbrans 的茎皮中分离出的异狼红皂苷元具有细胞毒性活性，支持刺桐属植物作为抗癌替代疗法的药用植物的进一步开发。© 2024 赫琳娜等人。

Erythrina subumbrans, a medical plant found in sub-Saharan Africa and the Western Ghats of India, shows promise as a potential source of bioactive compounds to treat cancer. In our ongoing research on folk medical plants, we report the isolation of flavonoid compound from the stem bark of E. subumbrans along with its cytotoxic activity against breast cancer (MCF-7 and T47D), and cervical cancer (HeLa) cell lines.This study aimed to isolate secondary metabolite from the stem bark of E. subumbrans and evaluate its cytotoxic activity to support the use of folk medicinal plants as alternative therapy against cancer.Isolupalbigenin was isolated from the stem bark of E. subumbrans by column chromatography. Cytotoxic activity against breast cancer (MCF-7 and T47D) and cervical cancer (HeLa) cell lines was evaluated using the MTT assay, whereas the in silico study was evaluated using molecular docking and molecular dynamics against estrogen receptor alpha (ERα).The cytotoxic assay showed that isolupalbigenin inhibited the growth of MCF-7 cell with an IC50 of 31.62 µg∙mL-1, while showing no toxicity against normal human cells (Vero cell line). The molecular docking results suggested that isolupalbigenin can bind to ERα with a lower binding affinity than estradiol, whereas the stability of the isolupalbigenin-ERα complex was confirmed by molecular dynamic simulation with a median Root Mean Square Deviation (RMSD) of 2.80 Å. Toxicity prediction suggested that isolupalbigenin was less likely to cause hepatotoxicity or carcinogenicity, whereas pharmacokinetic prediction suggested that isolupalbigenin has high intestinal absorption with medium Caco2 permeability. In addition, isolupalbigenin was predicted to have a medium volume of distribution (Vd).Isolupalbigenin isolated from the stem bark of E. subumbrans with cytotoxic activity supports further development of plants from the genus Erythrina as a medicinal plant for alternative therapy against cancer.© 2024 Herlina et al.