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新型杂合 1,3-噻嗪-1,3,5-三嗪衍生物的设计、合成、抗菌活性及分子对接研究作为潜在的细菌翻译抑制剂。

Design, synthesis, antibacterial activity, and molecular docking studies of novel hybrid 1,3-thiazine-1,3,5-triazine derivatives as potential bacterial translation inhibitor.

机构信息

Department of Pharmaceutical Sciences, Sam Higginbottom Institute of Agriculture Technology and Sciences, Formerly Allahabad Agricultural Institute, Deemed to be University, 211007 Allahabad, India.

出版信息

Chem Biol Drug Des. 2012 Oct;80(4):572-83. doi: 10.1111/j.1747-0285.2012.01430.x. Epub 2012 Jul 13.

Abstract

Some novel hybrid 1,3-thiazine-1,3,5-triazine derivatives were synthesized and tested for antibacterial activity. Compounds 8c and 8f were found active against Gram positive and Gram negative microorganisms. Molecular docking studies have been performed on eubacterial ribosomal decoding A site (Escherichia coli 16S rRNA A site) to rationalize the probable mode of action, binding affinity, and orientation of the molecules at the active site of receptor. The structures of all these newly synthesized compounds were confirmed by their elemental analyses and spectral data techniques viz. IR, ¹H NMR, ¹³C NMR, and mass.

摘要

一些新型的混合 1,3-噻嗪-1,3,5-三嗪衍生物被合成并测试了其抗菌活性。化合物 8c 和 8f 被发现对革兰氏阳性菌和革兰氏阴性菌具有活性。对原核生物核糖体解码 A 位(大肠杆菌 16S rRNA A 位)进行了分子对接研究,以合理化分子在受体活性部位的可能作用模式、结合亲和力和取向。所有这些新合成化合物的结构都通过元素分析和光谱数据技术(IR、1H NMR、13C NMR 和质谱)得到了确认。

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