Chemistry Department, Faculty of Women for Arts, Science & Education, Ain Shams University, Heliopolis, Egypt.
Department of Biochemistry, Faculty of Science, Ain Shams University, Abbassia, 11566, Cairo, Egypt.
Future Med Chem. 2024;16(18):1865-1882. doi: 10.1080/17568919.2024.2385295. Epub 2024 Sep 20.
This work explores the eco-friendly synthesis of various heterocycles from a piperidine-based compound () and explore their potential as antitumor agents. Ultrasonic irradiation was used to synthesize heterocycles like pyridone, thiophene and coumarin, with computational tools analyzing stability and biological interactions. Compounds and exhibit strong cytotoxic activity, surpassing doxorubicin. Compounds , , and exhibited intermediate activity, while compounds , and had minimal effects. Docking studies suggest potential ADORA1 receptor interaction. Computational tools analyze stability and interaction with biological systems, revealing potential antitumor mechanisms. Green synthesis of diverse heterocycles yielded potent antitumor agents (compounds & ). DFT and Docking studies suggest interaction with ADORA1 receptor, a potential mechanism.
这项工作探索了从基于哌啶的化合物（）合成各种杂环化合物，并研究它们作为抗肿瘤剂的潜力。超声辐射用于合成吡啶酮、噻吩和香豆素等杂环化合物，计算工具分析其稳定性和生物相互作用。化合物和表现出很强的细胞毒性活性，超过阿霉素。化合物、、表现出中等活性，而化合物、和的活性较小。对接研究表明可能与 ADORA1 受体相互作用。计算工具分析稳定性和与生物系统的相互作用，揭示潜在的抗肿瘤机制。通过绿色合成方法得到了具有潜在抗肿瘤活性的杂环化合物（化合物和）。DFT 和对接研究表明与 ADORA1 受体相互作用，这可能是一种潜在的机制。
