Exploration of the structure-activity relationship of 1,2,4-oxadiazole antibiotics.
Exploration of the structure-activity relationship of 1,2,4-oxadiazole antibiotics.
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DOI：
10.1016/j.bmcl.2015.06.044
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发表时间：
2015-11-01
影响因子：
2.7
通讯作者：
Mobashery S
中科院分区：
文献类型：
--
作者：
Ding D;Boudreau MA;Leemans E;Spink E;Yamaguchi T;Testero SA;O'Daniel PI;Lastochkin E;Chang M;Mobashery S
我们最近披露了1,2,4-恶二唑类抗生素的发现，这是在计算机对接和评分工作中出现的。这类抗菌药物表现出革兰氏阳性活性，特别是对金黄色葡萄球菌。我们通过合成和评价一系列C环或C环和D环变化的59个衍生物来确定该类抗生素的构效关系。共有17个化合物对金黄色葡萄球菌有活性。对4种衍生物与16株革兰氏阳性菌株（包括几种耐甲氧西林金黄色葡萄球菌菌株）的对照进行了评估。这些化合物对革兰氏阳性细菌具有广泛的活性。
We have recently disclosed the discovery of the class of 1,2,4-oxadiazole antibiotics, which emerged from in silico docking and scoring efforts. This class of antibacterials exhibits Gram-positive activity, particularly against Staphylococcus aureus. We define the structure-activity relationship (SAR) of this class of antibiotics with the synthesis and evaluation of a series of 59 derivatives with variations in the C ring or C and D rings. A total of 17 compounds showed activity against S. aureus. Four derivatives were evaluated against a panel of 16 Gram-positive strains, inclusive of several methicillin-resistant S. aureus strains. These compounds are broadly active against Gram-positive bacteria.