Abstract
A chemical feature based pharmacophore model was developed for alpha(1A)-adrenoceptor antagonists by HypoGen module implemented in catalyst software package. The best scoring pharmacophore hypothesis, Hypo1, consisted of four important chemical features (one positive ion, one hydrogen-bond donor, one aromatic ring, and one hydrophobic group). The results of our study provide a valuable tool in designing new leads with desired biological activity by virtual screening.
Publication types
-
Research Support, Non-U.S. Gov't
MeSH terms
-
Adrenergic alpha-1 Receptor Antagonists*
-
Adrenergic alpha-Antagonists / chemistry*
-
Adrenergic alpha-Antagonists / pharmacology
-
Drug Evaluation, Preclinical / methods
-
Expert Systems*
-
Humans
-
Models, Molecular*
-
Receptors, Adrenergic, alpha-1
-
Software
-
Structure-Activity Relationship
Substances
-
ADRA1A protein, human
-
Adrenergic alpha-1 Receptor Antagonists
-
Adrenergic alpha-Antagonists
-
Receptors, Adrenergic, alpha-1