氟喹诺酮类化合物及其衍生物构效关系研究

Studies on the Structure activity Relationships of Fluroquinolones and Their Derivatives

利用分子力学ＭＭＰＭ 和量子化学ＣＮＤＯ／２ 方法对一系列氟喹诺酮类化合物分子进行计算，并由所计算的微观参数结合宏观疏水参数与活性指标进行多元逐步回归处理，建立了相关性很好的Ｈａｎｓｃｈ 回归方程。根据回归方程。

A series of fluoroquinolones were calculated using MMPM (molecular mechanics program) and CNDO/2 (quantum chemistry program).The Hansch equation can be obtained by stepwise regression with the calculated indices and the hydrohpobic parameters of the compounds.Then,the analysis and the forecast of antibacterial activity of these derivatives were carried out.