乳腺癌是妇女死亡的主要原因，正在积极探索具有较少副作用的替代疗法。乳腺癌是世界范围内一个重要的全球卫生关注问题，放射治疗和化学治疗等传统治疗方法常常具有副作用。草药植物提取物为开发有效且安全的抗癌疗法提供了有希望的途径。本研究选择具有药用特性的植物——诃子进行研究。我们旨在评估TCF提取物对乳腺癌细胞的抗增殖效应，并探索TCF中一种植物化学物质——檐氨酸作为抗癌剂的潜在作用。将MCF7乳腺癌细胞系暴露于TCF提取物中，并进行细胞存活率和凋亡实验，以评估其抗增殖和凋亡诱导效应。进行分子对接研究，以评估檐氨酸与EGFR的结合亲和力。采用分子动力学模拟和结合能计算方法，分析了EGFR-檐氨酸复合物的稳定性。TCF提取物对MCF7乳腺癌细胞表现出显著的抗增殖效应，并呈剂量依赖性地诱导细胞凋亡。分子对接分析表明，与参考化合物（17β-雌二醇）相比，檐氨酸与EGFR具有更高的结合亲和力。随后的分子动力学模拟显示了EGFR-檐氨酸复合物的稳定结合模式和构象，提示其在抑制EGFR介导的信号通路方面可能发挥潜在作用。对诃子果实提取物及其植物化学物质檐氨酸的研究揭示了有希望的抗增殖效应和与EGFR的强结合亲和力。这些发现为将檐氨酸分离出来并进行体内研究以评估其作为针对乳腺癌的靶向治疗的潜力奠定了基础。从植物来源开发新型抗癌剂在推进肿瘤学领域和改善乳腺癌患者的治疗效果方面具有巨大的潜力。 Copyright © 2023 Reddy，Pradeep，S. M.，Dharmashekar，G.，M. R.，Srinivasa，Shati，Alfaifi，Elbehairi，Achar，Silina，Stupin，Manturova，Shivamallu和Kollur。

Breast cancer is a leading cause of mortality in women, and alternative therapies with fewer side effects are actively being explored. Breast cancer is a significant global health concern, and conventional treatments like radiotherapy and chemotherapy often have side effects. Medicinal plant extracts offer a promising avenue for the development of effective and safe anticancer therapies. Terminalia chebula, a plant known for its medicinal properties, was selected for investigation in this study. We aimed to assess the antiproliferative effects of TCF extract on breast cancer cells and explore the potential role of saccharopine, a phytochemical found in TCF, as an anticancer agent. MCF7 breast cancer cell lines were exposed to TCF extract, and cell viability and apoptosis assays were performed to evaluate the antiproliferative and apoptogenic effects. Molecular docking studies were conducted to assess the binding affinity of saccharopine with EGFRs. Molecular dynamics simulations and binding energy calculations were employed to analyze the stability of the EGFR-saccharopine complex. The TCF extract exhibited significant antiproliferative effects on MCF7 breast cancer cells and induced apoptosis in a dose-dependent manner. Molecular docking analysis revealed that saccharopine demonstrated a higher binding affinity with EGFR compared to the reference compound (17b-estradiol). The subsequent MDS simulations indicated stable binding patterns and conformation of the EGFR-saccharopine complex, suggesting a potential role in inhibiting EGFR-mediated signaling pathways. The investigation of Terminalia chebula fruit extract and its phytochemical saccharopine has revealed promising antiproliferative effects and a strong binding affinity with EGFR. These findings provide a foundation for future research aimed at isolating saccharopine and conducting in vivo studies to evaluate its potential as a targeted therapy for breast cancer. The development of novel anticancer agents from plant sources holds great promise in advancing the field of oncology and improving treatment outcomes for breast cancer patients.Copyright © 2023 Reddy, Pradeep, S. M., Dharmashekar, G., M. R., Srinivasa, Shati, Alfaifi, Elbehairi, Achar, Silina, Stupin, Manturova, Shivamallu and Kollur.