Abstract：HMG-CoA reductase converts HMG-CoA to mevalonate,with this catalysis constituting a committed step in the biosynthesis of cholesterol.So,it's primary drone in treatment coronary artery disease.At present,several statins are available in the drug market,however,up to now the quantitative structure-activity relationship of all of known inhibitors hasn't been reported.In order to provide a theoretical guide for the synthesis of novel inhibitors,the quantitative structure-activity relationship of the inhibitors of HMG-CoA reductase were performed by using 3D-QSAR approach: comparative molecular field analysis(CoMFA).The computed obtained CoMFA model with(q~2=0.4,) r~2=0.955,SE=0.110,F=85.335.It not only can be used to explain the structure-activity relationship of compound but also has powerful predictive ability.
收稿日期: 2005-04-25
引用本文:
万坚 张青叶 刘瑞华 张瑞. HMG-CoA还原酶抑制剂的3D-QSAR研究[J]. , 2005, 44(4): 0-0.
万坚 张青叶 刘瑞华 张瑞. 3D-QSAR study of statin inhibitors of HMG-CoA reductase. , 2005, 44(4): 0-0.
