Ultrasonic-assisted synthesis and antitumor evaluation of novel variant heterocyclic compounds based on piperidine ring.

IF 3.2 4区医学 Q3 CHEMISTRY, MEDICINAL Future medicinal chemistry Pub Date : 2024-09-20 DOI:10.1080/17568919.2024.2385295

Asmaa Aboelnaga, Eman El-Sayed Ebead, Ekhlass Nassar, Mohamed M Naguib, Mahmoud F Ismail

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Abstract

Aim: This work explores the eco-friendly synthesis of various heterocycles from a piperidine-based compound (1) and explore their potential as antitumor agents.Materials & methods: Ultrasonic irradiation was used to synthesize heterocycles like pyridone, thiophene and coumarin, with computational tools analyzing stability and biological interactions.Results: Compounds 9 and 14 exhibit strong cytotoxic activity, surpassing doxorubicin. Compounds 2, 6, 10 and 13 exhibited intermediate activity, while compounds 3, 7 and 12 had minimal effects. Docking studies suggest potential ADORA1 receptor interaction. Computational tools analyze stability and interaction with biological systems, revealing potential antitumor mechanisms.Conclusion: Green synthesis of diverse heterocycles yielded potent antitumor agents (compounds 9 & 14). DFT and Docking studies suggest interaction with ADORA1 receptor, a potential mechanism.

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基于哌啶环的新型变异杂环化合物的超声波辅助合成及抗肿瘤评价。

目的：本研究以一种哌啶基化合物（1）为原料，以生态友好的方式合成了多种杂环化合物，并探索了它们作为抗肿瘤药物的潜力：材料与方法：利用超声波辐照合成吡啶酮、噻吩和香豆素等杂环化合物，并利用计算工具分析其稳定性和生物相互作用：结果：化合物 9 和 14 具有很强的细胞毒活性，超过了多柔比星。化合物 2、6、10 和 13 表现出中等活性，而化合物 3、7 和 12 的作用则微乎其微。对接研究表明，这些化合物可能与 ADORA1 受体相互作用。计算工具分析了化合物的稳定性以及与生物系统的相互作用，揭示了潜在的抗肿瘤机制：多种杂环化合物的绿色合成产生了有效的抗肿瘤药物（化合物 9 和 14）。DFT 和 Docking 研究表明，与 ADORA1 受体的相互作用是一种潜在机制。

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来源期刊

Future medicinal chemistry CHEMISTRY, MEDICINAL-

CiteScore

5.80

自引率

2.40%

发文量

118

审稿时长

4-8 weeks

期刊介绍： Future Medicinal Chemistry offers a forum for the rapid publication of original research and critical reviews of the latest milestones in the field. Strong emphasis is placed on ensuring that the journal stimulates awareness of issues that are anticipated to play an increasingly central role in influencing the future direction of pharmaceutical chemistry. Where relevant, contributions are also actively encouraged on areas as diverse as biotechnology, enzymology, green chemistry, genomics, immunology, materials science, neglected diseases and orphan drugs, pharmacogenomics, proteomics and toxicology.