In order to explain the special antibiotic activity of urine, various chromatographic techniques were applied to separate and purify the key component from the healthy male urine. The structure of purified component w...In order to explain the special antibiotic activity of urine, various chromatographic techniques were applied to separate and purify the key component from the healthy male urine. The structure of purified component was identified by mass spectrometry and NMR. The results indicated that the substance separated from the male urine was trimethoprim. This is the first report of trimethoprim separated from urine.展开更多
文摘目的:考察不同模板分子对距离比较法(DIStance COmparison,DISCO)构建HMG-CoA还原酶抑制剂药效团模型的影响。方法:以MDDR数据库中作用于大鼠肝细胞的13个HMG-CoA还原酶抑制剂为训练集,将活性最高的6个活性分子逐一作为模板分子,用DISCO方法构建的HMG-CoA还原酶抑制剂三维药效团模型和比较分子力场分析法(Comparative Molecular Field Analysis,CoMFA)进行分析。结果:最优HMG-CoA还原酶抑制剂药效团模型包含两个氢键受体和两个疏水中心,其模板分子的刚性和活性适中。结论:利用DISCO方法构建药效团模型时,合理选择模板分子是保证药效团可靠的关键因素之一。
文摘In order to explain the special antibiotic activity of urine, various chromatographic techniques were applied to separate and purify the key component from the healthy male urine. The structure of purified component was identified by mass spectrometry and NMR. The results indicated that the substance separated from the male urine was trimethoprim. This is the first report of trimethoprim separated from urine.
