期刊
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
卷 44, 期 9, 页码 3703-3711出版社
ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER
DOI: 10.1016/j.ejmech.2009.03.040
关键词
Renin inhibitors; 3D QSAR; CoMFA; CoMSIA; In silica docking
资金
- European Union [EURODESY-MEST-CF-2005-020575]
For the first time, a set of renin inhibitors were subjected to the 3D QSAR/CoMFA and CoMSIA studies. The utility of renin inhibitors in the treatment of cardiovascular diseases has not been fully explored yet. At the moment, aliskiren is the first and only existing renin inhibitor in the drug market. The performed 3D QSAR/CoMFA and CoMSIA in combination with docking studies included aliskiren and 37 derivatives possessing a wide variety of bioactivity. The obtained results may aid in the design of novel bioactive renin inhibitors. (C) 2009 Elsevier Masson SAS. All rights reserved.
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