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本文用Topliss,Free-Wilson和Hansch方法对氢醌类化合物的抗菌活性进行了QSAR研究。取代氢醌的抗菌活性可能是通过药物与受体间的电子转移所生成的电荷转移复合物而实现的。在Hansch分析中,应用了表征药物与受体间化学反应性的量子化学参数LEMO。三种方法配合取得了一致的良好结果。
The antibacterial activity of hydroquinone compounds was investigated by QSAR using Topliss, Free-Wilson and Hansch methods. The antibacterial activity of substituted hydroquinone may be achieved by the charge-transfer complex formed by the electron transfer between the drug and the receptor. In the Hansch analysis, a quantum chemistry parameter LEMO that characterizes the chemical reactivity between a drug and an acceptor has been used. The three methods achieved good and consistent results.