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

IF 4.3 3区材料科学 Q1 ENGINEERING, ELECTRICAL & ELECTRONIC

ACS Applied Electronic Materials Pub Date : 2024-01-01 Epub 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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引用次数: 0

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

ACS Applied Electronic Materials Multiple-

CiteScore

7.20

自引率

4.30%

发文量

567