Discovery of novel bacterial elongation condensing enzyme inhibitors by virtual screening.
Discovery of novel bacterial elongation condensing enzyme inhibitors by virtual screening.
复制标题
通过虚拟筛选发现新型细菌延伸缩合酶抑制剂。
DOI：
10.1016/j.bmcl.2014.03.033
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发表时间：
2014
影响因子：
2.7
通讯作者：
Lee,RichardE
中科院分区：
文献类型：
--
作者：
Zheng,Zhong;Parsons,JoshuaB;Tangallapally,Rajendra;Zhang,Weixing;Rock,CharlesO;Lee,RichardE
The elongation condensing enzymes in the bacterial fatty acid biosynthesis pathway represent desirable targets for the design of novel, broad-spectrum antimicrobial agents. A series of substituted benzoxazolinones was identified in this study as a novel class of elongation condensing enzyme (FabB and FabF) inhibitors using a two-step virtual screening approach. Structure activity relationships were developed around the benzoxazolinone scaffold showing that N-substituted benzoxazolinones were most active. The benzoxazolinone scaffold has high chemical tractability making this chemotype suitable for further development of bacterial fatty acid synthesis inhibitors.
