【摘要】 作者选择了11种具有抗低压缺氧活性和抗常压缺氧活性的β-取代苯基乳酸进行 QSAR 关系的研究,用 CNDO/2法计算确定该类化合物的优势构象,并用10种取代的β-苯基乳酸的25种量子化学参数进行 R 型聚类分析,选出了其中7种参数,然后用逐步回归分析法,建立了此类参数与两类药理活性的 QSAR 关系式;亦用逐步回归分析法,建立了11种β-取代苯基乳酸的9种物理化学参数与两类药理活性的 QSAR 关系式。这些关系式对具有此两类活性的新的β-取代苯基乳酸的合成有一定的意义。更多还原

【Abstract】 Some Substituted phenyl-lactic acids had significant tolerance to low pressure of oxygen deficit and nomal pressure of oxygen deficit.The preferential conformation and the parameters of quantum chemistry were calculated by CNDO/2 method.The R type cluster analysis of proposed 25 quantum chemical parameters were carried out,and seven of them were selected.By stepwise regression analysis,QSAR equations of two types of tolerance to oxygen deficit were calculated with quantum chemical parameters and physical chemical parameters.These QSAR equations could he used for prediction of pharmacolog- ical activities of new compounds of Substituted phenyl-lactic acids.更多还原