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

IF 3.9 2区化学 Q2 CHEMISTRY, APPLIED

Molecular Diversity Pub Date : 2023-06-19 DOI:10.1007/s11030-023-10669-9

Maruti B. Yadav, Pooja Singh, Yeon Tae Jeong

引用次数: 0

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.

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通过 MCRs 对功能化咪唑 [1,2-a]啶衍生物进行区域选择性合成和分子对接研究。

通过 2-氨基吡啶、芳基乙二醛和 4-羟基吡喃之间的三组分级联反应，开发出了一种高效的方法，用于合成具有区域选择性的咪唑并[1,2-a]吡啶和咪唑并[1,2-a]嘧啶衍生物，从而制备出产率高至优良的目标化合物。这种转化方法的优点是反应无需催化剂、使用绿色溶剂、操作简单、可扩展且环保。通过简单的过滤就能收集到产物，避免了繁琐而昂贵的纯化技术。此外，还进行了分子对接等计算研究，以提供这些合成化合物与 VEGFR2 受体结合的理论可能性，作为肿瘤细胞生长和血管生成的潜在关键抑制剂。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Molecular Diversity 化学-化学综合

CiteScore

7.30

自引率

7.90%

发文量

219

审稿时长

2.7 months

期刊介绍： Molecular Diversity is a new publication forum for the rapid publication of refereed papers dedicated to describing the development, application and theory of molecular diversity and combinatorial chemistry in basic and applied research and drug discovery. The journal publishes both short and full papers, perspectives, news and reviews dealing with all aspects of the generation of molecular diversity, application of diversity for screening against alternative targets of all types (biological, biophysical, technological), analysis of results obtained and their application in various scientific disciplines/approaches including: combinatorial chemistry and parallel synthesis; small molecule libraries; microwave synthesis; flow synthesis; fluorous synthesis; diversity oriented synthesis (DOS); nanoreactors; click chemistry; multiplex technologies; fragment- and ligand-based design; structure/function/SAR; computational chemistry and molecular design; chemoinformatics; screening techniques and screening interfaces; analytical and purification methods; robotics, automation and miniaturization; targeted libraries; display libraries; peptides and peptoids; proteins; oligonucleotides; carbohydrates; natural diversity; new methods of library formulation and deconvolution; directed evolution, origin of life and recombination; search techniques, landscapes, random chemistry and more;