孙恒庆, 陈钟瑛, 徐国英, 徐丽英. 氢醌类化合物抗菌活性的QSAR研究J. 药学学报, 1982, 17(2): 107-111.
引用本文: 孙恒庆, 陈钟瑛, 徐国英, 徐丽英. 氢醌类化合物抗菌活性的QSAR研究J. 药学学报, 1982, 17(2): 107-111.
SUN Heng-qing, CHEN Zhong-ying, XU Guo-ying , XU Li-ying, . THE QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP OF THE ANTIBIOTIC PROPERTIES OF A SERIES OF HYDROQUINONEJ. Acta Pharmaceutica Sinica, 1982, 17(2): 107-111.
Citation: SUN Heng-qing, CHEN Zhong-ying, XU Guo-ying , XU Li-ying, . THE QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP OF THE ANTIBIOTIC PROPERTIES OF A SERIES OF HYDROQUINONEJ. Acta Pharmaceutica Sinica, 1982, 17(2): 107-111.

氢醌类化合物抗菌活性的QSAR研究

THE QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP OF THE ANTIBIOTIC PROPERTIES OF A SERIES OF HYDROQUINONE

  • 摘要: 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。

     

    Abstract: The antibiotic properties of a series of hydroquinones were examined in an effort to study the quantitative structure activity relationship with the application of Topliss, Hansch and Free-Wilson methods.It seems likely that the pharmacological activity of the substituted hydroquinones. is realized by the charge transfer complex which is formed by the transfer of electrons from receptor site to the specific hydroquinone. In Hansch analysis, the parameter LEMO was calculated by molecular orbital technique and a better correlation was found in combination with othet parameters.The experimental values of lg(1/C) agree fairly with the values calculated by both Hansch and Free-Wilson equations.

     

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