文章基本信息

标题：Synthesis, antimicrobial activity and silicon study of 1,2,4-oxadiazoles derived from of ethyl levulinate
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作者：Josefa Aqueline da Cunha Lima ; Erick Caique Santos Costa ; Gisele Barbosa Bezerra 等
期刊名称：Acta Brasiliensis
印刷版ISSN：2526-432X
电子版ISSN：2526-4338
出版年度：2020
卷号：4
期号：3
页码：161-167
DOI：10.22571/2526-4338390
出版社：Universidade Federal de Campina Grande
摘要：This study describes the synthesis, antimicrobial activity, and in silico assessment of 1,2,4-oxadiazoles from ethyl levulinate. For that, we prepared arylamidoximes and treated them with ethyl levulinate, obtaining the respective 1,2,4-oxadiazoles through a reaction sequence of O- acylation followed by cyclodehydration. Then, we assessed the antimicrobial activity of these compounds against Staphylococcus aureus , Enterococcus faecalis , Escherichia coli , Pseudomonas aeruginosa , and Candida utilis using the broth microdilution technique. We analyzed in silico studies using the online bioinformatics platforms SwissADME and PASS. We obtained arylamidoximes and 1,2,4-oxadiazoles in good yields. The 1,2,4-oxadiazoles showed moderate antimicrobial activity, inhibiting two microorganisms: the bacterium P. aeruginosa and the fungus C. utilis. In silico studies of 1,2,4-oxadiazoles have shown promising properties, such as good oral absorption, low probability of toxicity, good body distribution, and potential to develop metabolic and enzymatic activities. The investigation of the antimicrobial activity together with the in silico studies showed that the synthesized 1,2,4-oxadiazoles are promising structures for the development of new therapeutic agents.
关键词：Antimicrobial activity; computational studies; heterocyclic; organic synthesis.