Synthesis of New 2-(Pyridin-4-yl)-1H-imidazo[4,5-b]pyridine Derivatives: In vitro Antibacterial and In silico Screening,ChemistrySelect

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Synthesis of New 2-(Pyridin-4-yl)-1H-imidazo[4,5-b]pyridine Derivatives: In vitro Antibacterial and In silico Screening
ChemistrySelect ( IF 1.9 ) Pub Date : 2023-02-28 , DOI: 10.1002/slct.202204774
Praveen Dupati ₁ , Annapoorna R. Sapuri‐Butti ₁ , Anjaneyulu Musini ₂ , Himanshu Narayan Singh ₃

Affiliation

A series of condensation, oxidation, acid amine coupling and reductive amination reactions were performed to synthesize analogues of N-substituted 2-(pyridin-4-yl)-1H-imidazo[4,5-b] pyridine-7-carboxamide and (2-(pyridin-4-yl)-1H-imidazo[4,5-b] pyridin-7-yl) methanamine. Molecular structure confirmation of derivatives was acknowledged by modern analytical techniques like IR, ¹H NMR, ¹³C NMR and ESI-MM MS analysis. In vitro antibacterial evaluation of compounds was performed on Bacillus cereus, Klebsiella pneumonia and Staphylococcus aureus and the results were compared with the control Amikacin. Molecular docking and ADMET (absorption, distribution, metabolism, excretion and toxicity) studies have been conducted on the selected compounds to further rationalize the results.

中文翻译：

新型 2-(Pyridin-4-yl)-1H-imidazo[4,5-b]pyridine 衍生物的合成：体外抗菌和计算机筛选

进行了一系列缩合、氧化、酸胺偶联和还原胺化反应，合成了N-取代的 2-(pyridin-4-yl)-1H-imidazo[4,5- b ] pyridine-7-carboxamide 和 ( 2-(pyridin-4-yl)-1H-imidazo[4,5-b] pyridin-7-yl) methanamine。衍生物的分子结构确认已被现代分析技术如IR、¹ H NMR、¹³ C NMR和ESI-MM MS分析所认可。对蜡样芽孢杆菌、肺炎克雷伯菌和金黄色葡萄球菌进行了化合物的体外抗菌评价并将结果与对照阿米卡星进行比较。对选定的化合物进行了分子对接和ADMET（吸收、分布、代谢、排泄和毒性）研究，以进一步合理化结果。

更新日期：2023-03-02

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