Self-organizing molecular field analysis on alpha(1a)-adrenoceptor dihydropyridine antagonists

Minyong Li; Lüpei Du; Bin Wu; Lin Xia

doi:10.1016/s0968-0896(03)00410-3

Self-organizing molecular field analysis on alpha(1a)-adrenoceptor dihydropyridine antagonists

Bioorg Med Chem. 2003 Sep 1;11(18):3945-51. doi: 10.1016/s0968-0896(03)00410-3.

Authors

Minyong Li¹, Lüpei Du, Bin Wu, Lin Xia

Affiliation

¹ .Department of Medicinal Chemistry, China Pharmaceutical University, Nanjing 210009, China.

PMID: 12927855
DOI: 10.1016/s0968-0896(03)00410-3

Abstract

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.

Publication types

Comparative Study
Research Support, Non-U.S. Gov't

MeSH terms

Adrenergic alpha-1 Receptor Antagonists*
Adrenergic alpha-Antagonists / chemistry*
Adrenergic alpha-Antagonists / pharmacology
Dihydropyridines / chemistry*
Dihydropyridines / pharmacology
Models, Theoretical
Quantitative Structure-Activity Relationship
Reproducibility of Results
Static Electricity
Statistics as Topic

Substances

Adrenergic alpha-1 Receptor Antagonists
Adrenergic alpha-Antagonists
Dihydropyridines