Synthesis, antibacterial evaluation and QSAR studies of 7-[4-(5-aryl-1,3,4-oxadiazole-2-yl)piperazinyl] quinolone derivatives
Synthesis, antibacterial evaluation and QSAR studies of 7-[4-(5-aryl-1,3,4-oxadiazole-2-yl)piperazinyl] quinolone derivatives
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DOI：
10.1016/j.ejmech.2011.04.035
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发表时间：
2011-09-01
影响因子：
6.7
通讯作者：
Kaushik, Darpan
中科院分区：
文献类型：
--
作者：
Kumar, Rajnish;Kumar, Ashwani;Kaushik, Darpan
采用合适的合成路线合成了一系列7-[4-（5-芳基-1,3,4-恶二唑-2-基）哌嗪基]喹诺酮类化合物（I-XXI），并通过元素和光谱分析对其进行了表征。所有合成的化合物对可识别的菌株进行了抑菌活性评价。化合物III、IV、VII、VIII、IX、X、XI、XV和XVIII对所有选定菌株的活性均优于母体化合物。采用多元线性回归方法对合成的抑菌活性分子进行QSAR研究。生成的模型显示，HOMO能量的降低是确定和预测合成化合物抗菌活性的有利描述符。此外，使用LOO方法对开发的模型进行了交叉验证，以确定其预测性质。(C) 2011年Elsevier Masson SAS出版。
A series of 7-[4-(5-aryl-1,3,4-oxadiazole-2-yl)piperazinyl] quinolones (I-XXI) were synthesized using an appropriate synthetic route and characterized by elemental and spectral analysis. The antibacterial activities of all the synthesized compounds were evaluated against identifiable bacterial strains. Compounds III, IV, VII, VIII, IX, X, XI, XV, & XVIII showed better activity than parent compound against all the selected strains. QSAR study on the synthesized molecules tested for their antibacterial activity was performed using multiple linear regression method. Generated models revealed a decrease in HOMO energy as favorable descriptor for determining and predicting the antibacterial activity of the synthesized compounds. Further, the developed models were cross validated using LOO method for their predictive nature. (C) 2011 Published by Elsevier Masson SAS.