Self-organizing molecular field analysis on alpha(1a)-adrenoceptor dihydropyridine antagonists.
Self-organizing molecular field analysis (SOMFA), a new three-dimensional quantitative structure-activity relationship (3-D-QSAR) method is used to study the correlation between the molecular properties and the alpha(1a)-AR biological activities of dihydropyridine derivatives. The statistical result, cross-validated q(2) (0.690) and non cross-validated r(2) (0.704) values, show a good predictive ability.
Li
Minyong
M
.Department of Medicinal Chemistry, China Pharmaceutical University, Nanjing 210009, China.
Du
Lüpei
L
Wu
Bin
B
Xia
Lin
L
D058668:Adrenergic alpha-1 Receptor Antagonists; D000317:Adrenergic alpha-Antagonists / Q000737:chemistry* / Q000494:pharmacology; D004095:Dihydropyridines / Q000737:chemistry* / Q000494:pharmacology; D008962:Models, Theoretical; D021281:Quantitative Structure-Activity Relationship; D015203:Reproducibility of Results; D055672:Static Electricity; D013223:Statistics as Topic
D058668:Adrenergic alpha-1 Receptor Antagonists; D000317:Adrenergic alpha-Antagonists; D004095:Dihydropyridines