论文部分内容阅读
通过测定O-乙基O-取代芳基N-异丙基硫代磷酰胺酯类化合物的急性毒性、疏水性、电性、水解性,对这类化合物的急性毒性与化学结构进行了定量构-效相关(QSAR)分析。表明该类药物的急性毒性与电偶极矩μ显著相关,提示药物分子与受体的作用可能含有偶极成分。根据实验所得的QSAR方程,证明该类药物分子当电偶极矩小(苯环对位有推电子基团)、亲水性高时,其急性毒性较低。
By measuring the acute toxicity, hydrophobicity, electrical property and hydrolysability of O-ethyl O-substituted aryl N-isopropyl thiophosphoramidates, the acute toxicity and chemical structure of these compounds were quantitatively determined - Correlation (QSAR) analysis. The acute toxicity of these drugs showed significant correlation with the electric dipole moment μ, suggesting that the interaction between the drug molecule and the receptor may contain dipole components. According to the experimental QSAR equation, it is proved that the acute toxicity of this kind of drug molecules is low when the dipole moment is small (there are push electron groups in the para-position of benzene ring) and the hydrophilicity is high.