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Synthesis, Molecular Docking, and In Vitro Antibacterial Activities of Some Novel Aminobenzylnaphthol Derivatives via One-Pot Three-Component Reaction
Russian Journal of Bioorganic Chemistry ( IF 1.1 ) Pub Date : 2021-08-21 , DOI: 10.1134/s1068162021040075
Shweta N. Dandekar 1 , Onkar A. Lotlikar 1 , Shrimant V. Rathod 1 , M. M. V. Ramana 2
Affiliation  

Abstract

This work provides the first example of incorporating the thiazole moiety into the aminobenzylnaphthol i.e. Betti base. A series of novel synthesized Betti bases via a one-pot three-component reaction of 2-amino-5-methyl thiazole, 2-naphthol, and substituted aldehydes are reported. The formation of desired products was confirmed using various spectroscopic techniques. The derivatives were screened in vitro for antibacterial activities. Molecular docking was also performed to predict the possible mode of action of these derivatives. The docking analysis ascertained that these derivatives regulate the antimicrobial potential via inhibition of DNA gyrase.



中文翻译:

一些新型氨基苄基萘酚衍生物的一锅三组分反应合成、分子对接和体外抗菌活性

摘要

这项工作提供了将噻唑部分并入氨基苄基萘酚(即 Betti 碱)中的第一个例子。报道了通过 2-氨基-5-甲基噻唑、2-萘酚和取代醛的一锅三组分反应合成的一系列新型 Betti 碱。使用各种光谱技术确认了所需产物的形成。体外筛选衍生物的抗菌活性。还进行了分子对接以预测这些衍生物的可能作用模式。对接分析确定这些衍生物通过抑制 DNA 促旋酶来调节抗菌潜力。

更新日期:2021-08-21
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