Munakata K, Kobashi K, Hase J
J Pharmacobiodyn. 1980 Sep;3(9):457-62. doi: 10.1248/bpb1978.3.457.
Quantitative structure activity relationships between physico-chemical properties of four series of more than sixty hydroxamic acids [R-(CONHCH2)n-CONHOH, R=aromatic or aliphatic, n=1 or 0) and their urease inhibitory activities were examined. The best improved regression equation primarily indicated that the inhibitory activities of hydroxamic acids were parabolically varied with the hydrophobic variable, pi of the R moiety and the optimal pi value was calculated to be 2.58. Furthermore, the inhibitory activities of congeners were found to be significantly affected by the B1 variable representing the minimum width of steric size of the R moiety. Besides, it was clarified by using two indicator variables that inhibitory activities were not affected by the R moiety, whether aromatic or aliphatic, but positively affected by the presence of the -CONHCH2-group between the R moiety and the hydroxamic acid group.
研究了60多种异羟肟酸（R-(CONHCH2)n-CONHOH，R=芳基或脂肪族，n=1或0）的四个系列的物理化学性质与其脲酶抑制活性之间的定量构效关系。最佳改进回归方程主要表明，异羟肟酸的抑制活性随疏水变量、R部分的π值呈抛物线变化，计算得出最佳π值为2.58。此外，发现同系物的抑制活性受代表R部分空间大小最小宽度的B1变量显著影响。此外，通过使用两个指示变量表明，抑制活性不受R部分是芳基还是脂肪族的影响，但受R部分与异羟肟酸基团之间的-CONHCH2-基团的存在的正向影响。
