Reddy Pruthvish, Pradeep Sushma, S M Gopinath, Dharmashekar Chandan, G Disha, M R Sai Chakith, Srinivasa Chandrashekar, Shati Ali A, Alfaifi Mohammad Y, Elbehairi Serag Eldin I, Achar Raghu Ram, Silina Ekaterina, Stupin Victor, Manturova Natalia, Shivamallu Chandan, Kollur Shiva Prasad
Department of Biotechnology, Acharya Institute of Technology, Bengaluru, Karnataka, India.
Department of Biotechnology and Bioinformatics, School of Life Sciences, JSS Academy of Higher Education and Research, Mysuru, Karnataka, India.
Front Oncol. 2023 Aug 29;13:1221275. doi: 10.3389/fonc.2023.1221275. eCollection 2023.
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. , 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.
乳腺癌是女性死亡的主要原因之一，人们正在积极探索副作用较少的替代疗法。乳腺癌是一个重大的全球健康问题，放疗和化疗等传统治疗方法往往有副作用。药用植物提取物为开发有效且安全的抗癌疗法提供了一条有前景的途径。诃子，一种以其药用特性而闻名的植物，被选入本研究进行调查。我们旨在评估诃子提取物对乳腺癌细胞的抗增殖作用，并探索诃子中发现的一种植物化学物质——saccharopine作为抗癌剂的潜在作用。将MCF7乳腺癌细胞系暴露于诃子提取物中，并进行细胞活力和凋亡测定，以评估其抗增殖和促凋亡作用。进行分子对接研究以评估saccharopine与表皮生长因子受体（EGFRs）的结合亲和力。采用分子动力学模拟和结合能计算来分析EGFR-saccharopine复合物的稳定性。诃子提取物对MCF7乳腺癌细胞表现出显著的抗增殖作用，并以剂量依赖的方式诱导细胞凋亡。分子对接分析表明，与参考化合物（17β-雌二醇）相比，saccharopine与EGFR表现出更高的结合亲和力。随后的分子动力学模拟表明EGFR-saccharopine复合物具有稳定的结合模式和构象，表明其在抑制EGFR介导的信号通路中具有潜在作用。对诃子果实提取物及其植物化学物质saccharopine的研究揭示了其有前景的抗增殖作用以及与EGFR的强结合亲和力。这些发现为未来旨在分离saccharopine并进行体内研究以评估其作为乳腺癌靶向治疗潜力的研究奠定了基础。从植物来源开发新型抗癌药物在推动肿瘤学领域发展和改善乳腺癌患者的治疗效果方面具有巨大潜力。
