摘要
对咪唑并吡啶类化合物作为环核苷酸磷酸二酯酶（PDE）的抑制剂的抑制活性进行了比较分子力场分析．结果表明，立体效应和静电作用场是描述对PDE仰制活性和进行结构性能关系研究的最重要的结构参数，提出了对该类化合物进行结构修饰的方法，并由新建立的三维定量构效关系模型对该类化合物的PDE抑制活性进行了预报．
In recent years there has been a resurgence of interest in inhibitors of cyclic nucleotide phosphodiesterases (PDE) and enzymes responsible for the intracelluar hydrolysis of the second messenger cAMP and cGMP. In this study, a series of Z-subsituted phenyllimidazo[4, 5-b]pyridines have been made to investigate 3D-QSAR of PDE activity using CoMFA.CoMFA resulted in a quantitative description of the major steric and electrostatic field effects, and gave significant new insights to factors governing PDE inhibition activity. The model was used to predict the PDE inhibition activity of imidazopyridines with satisfactory results.
出处
《高等学校化学学报》
SCIE
EI
CAS
CSCD
北大核心
1998年第1期43-47,共5页
Chemical Journal of Chinese Universities
基金
国家自然科学基金
