7-(N-取代苯乙基)-哌嗪-6-氟喹诺酮类抗菌活性的2D-QSAR研究
首发时间:2007-11-06
摘要:利用分子力学MM+和量子力学PM3方法对一系列7-(N-取代苯乙基)-哌嗪-6-氟喹诺酮类化合物分子进行计算, 并由所计算的结构参数结合与活性指标进行多元逐步回归处理, 建立了相关性较好的构效关系方程式,并对影响抗菌活性的主要因素作了讨论
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2D-QSAR of 7-(N-substitued phenethyl)-piperazidine-6-
Abstract:The calculation of molecular mechanics MM+ and the semi-emipirical PM3 method was performed on a series of 7-(N-substitued phenethyl)-piperazidine-6-fluoroquinolones compounds, multivariate stepwise regression is used to obtain the relationship between structure descriptors and antibiotic activity.The principle factors influenced antibiotic activity are discussed.
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No.1617515812711943****
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7-(N-取代苯乙基)-哌嗪-6-氟喹诺酮类抗菌活性的2D-QSAR研究
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