N-4-芳基丙烯酰基哌嗪-1-基-苯基-恶唑烷酮类新型抗菌剂的3D QSAR研究
3D QSAR studies of N-4-arylacryloylpiperazin-1-yl-phenyl-oxazolidinones: a novel class of antibacterial agents.
作者信息
Lohray B B, Gandhi Neha, Srivastava Brijesh Kumar, Lohray Vidya Bhushan
机构信息
Zydus Research Centre, Cadila Healthcare Ltd, Sarkhej-Bavla N.H. No. 8A, Moraiya, Ahmedabad, Gujarat 382210, India.
出版信息
Bioorg Med Chem Lett. 2006 Jul 15;16(14):3817-23. doi: 10.1016/j.bmcl.2006.04.023. Epub 2006 May 2.
PMID:16650983
Abstract
Three-dimensional QSAR studies for N-4-arylacryloylpiperazin-1-yl-phenyl-oxazolidinones were conducted using TSAR 3.3. The in vitro activities (MICs) of the compounds against Staphylococcus aureus ATCC 25923 exhibited a strong correlation with the prediction made by the model developed in the present study.
摘要
使用TSAR 3.3对N-4-芳基丙烯酰基哌嗪-1-基-苯基-恶唑烷酮进行了三维定量构效关系（QSAR）研究。这些化合物对金黄色葡萄球菌ATCC 25923的体外活性（最小抑菌浓度，MICs）与本研究建立的模型所做的预测呈现出很强的相关性。
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