Development, evaluation and application of 3D QSAR Pharmacophore model in the discovery of potential human renin inhibitors.

ABSTRACT:

Background

Renin has become an attractive target in controlling hypertension because of the high specificity towards its only substrate, angiotensinogen. The conversion of angiotensinogen to angiotensin I is the first and rate-limiting step of renin-angiotensin system and thus designing inhibitors to block this step is focused in this study.

Methods

Ligand-based quantitative pharmacophore modeling methodology was used in identifying the important molecular chemical features present in the set of already known active compounds and the missing features from the set of inactive compounds. A training set containing 18 compounds including active and inactive compounds with a substantial degree of diversity was used in developing the pharmacophore models. A test set containing 93

SUBMITTER: John S 

PROVIDER: S-EPMC3287469 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature