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通过多组分反应对功能化咪唑并[1,2-a]吡啶衍生物进行区域选择性合成及分子对接研究

Regioselective synthesis and molecular docking studies of functionalized imidazo [1,2-a]pyridine derivatives through MCRs.

作者信息

Yadav Maruti B, Singh Pooja, Jeong Yeon Tae

机构信息

Department of Image Science and Engineering, Pukyong National University, Busan, 608-737, Republic of Korea.

Division of Applied Life Science, Plant Molecular Biology and Biotechnology Research Centre (PMBBRC), Gyeongsang National University (GNU), 501 Jinju-daero, Jinju, 52828, Republic of Korea.

出版信息

Mol Divers. 2024 Feb;28(1):171-182. doi: 10.1007/s11030-023-10669-9. Epub 2023 Jun 19.

Abstract

A efficient protocol has been developed for the synthesis of regioselective imidazo[1,2-a]pyridine and imidazo[1,2-a]pyrimidine derivatives through cascade reaction between 2-aminopyridine, arylelglyoxal, and 4-hydroxypyran via three-component reaction to prepare targeted compounds with good to excellent yields. The advantages of this transformation are a catalyst-free reaction, green solvent, operationally simple, scalable, and eco-friendly. The product collects with simple filtration which avoided tedious and expensive purification techniques. In addition, computational studies like molecular docking were conducted to provide the theoretical possibilities of binding these types of synthesized compounds to the VEGFR2 receptors as potential key inhibitors of tumor cell growth and angiogenesis.

摘要

已经开发出一种高效的方案,通过2-氨基吡啶、芳基乙二醛和4-羟基吡喃之间的级联反应,经三组分反应合成区域选择性咪唑并[1,2-a]吡啶和咪唑并[1,2-a]嘧啶衍生物,以良好至优异的产率制备目标化合物。这种转化的优点是无催化剂反应、绿色溶剂、操作简单、可扩展且环保。产物通过简单过滤收集,避免了繁琐且昂贵的纯化技术。此外,还进行了分子对接等计算研究,以提供这些类型的合成化合物作为肿瘤细胞生长和血管生成的潜在关键抑制剂与VEGFR2受体结合的理论可能性。

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