首页> 外文期刊>European Journal of Medicinal Chemistry: Chimie Therapeutique >Design, synthesis and docking studies of quinoline-oxazolidinone hybrid molecules and their antitubercular properties.
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Design, synthesis and docking studies of quinoline-oxazolidinone hybrid molecules and their antitubercular properties.

机译:喹啉-恶唑烷酮杂化分子的设计,合成和对接研究及其抗结核特性。

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摘要

New series of quinoline-oxazolidinone hybrid molecules were synthesized based on the preliminary docking studies. All the newly synthesized compounds were characterized by spectral analyses. The newly synthesized compounds were screened for their antimycobacterial properties based on the promising preliminary antibacterial screening results. Amongst tested compounds, compounds 8a, 8j and 13a were active at 0.65 mug/mL against Mycobacterium tuberculosis H(37)Rv strain. The mode of action of these active compounds was carried out by docking of receptor enoyl-ACP reductase with newly synthesized candidate ligands 8a, 8j and 13a. These compounds exhibited well established bonds with one or more amino acids in the receptor active pocket. From the docking studies, compound 8j was considered to be the best inhibitor.
机译:基于初步的对接研究,合成了新系列的喹啉-恶唑烷酮杂化分子。所有新合成的化合物都通过光谱分析进行了表征。基于有希望的初步抗菌筛选结果,筛选了新合成的化合物的抗分枝杆菌特性。在测试的化合物中,化合物8a,8j和13a对结核分枝杆菌H(37)Rv菌株的活性为0.65杯/毫升。这些活性化合物的作用方式是通过将受体烯酰-ACP还原酶与新合成的候选配体8a,8j和13a对接来进行的。这些化合物表现出与受体活性口袋中一个或多个氨基酸的牢固结合。从对接研究中,化合物8j被认为是最好的抑制剂。

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