In silico identification of novel lead compounds with AT1 receptor antagonist activity: successful application of chemical database screening protocol
Open Access
- 1 January 2012
- journal article
- Published by Springer Science and Business Media LLC in Organic and Medicinal Chemistry Letters
- Vol. 2 (1), 7
- https://doi.org/10.1186/2191-2858-2-7
Abstract
AT1 receptor antagonists are clinically effective drugs for the treatment of hypertension, cardiovascular, and related disorders. In an attempt to identify new AT1 receptor antagonists, a pharmacophore-based virtual screening protocol was applied. The pharmacophore models were generated from 30 training set compounds. The best model was chosen on the basis of squared correlation coefficient of training set and internal test set. The validity of the developed model was also ensured using catScramble validation method and external test set prediction.Keywords
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