摘要
利用比较分子场分析 (Co MFA)方法 ,对 2 0种嘧啶 (氧 )苯甲酸类化合物进行了三维定量构效关系(3 D-QSAR)研究。得到了具有较强预测能力的 QSAR模型。并对此模型进行了验证 ,在此基础上 ,设计了具有更高活性的化合物。
A series of 20 pyrimidinyl(oxo)benzoic acids compounds inhibiting ALS has been investigated by Comparative Molecular Field Analysis(CoMFA).Quantitative Structure Activity Relationship(3D QSAR)model with high predicablity was obtained.A model has been successfully employed to examine the predictive abilities of the CoMFA model against ALS.Some new compounds with higher activity have been designed by using this model.
出处
《化学研究与应用》
CAS
CSCD
1999年第6期626-629,共4页
Chemical Research and Application
基金
天津市教委资助
