Using theoretical descriptors in a correlation analysis of adenosine activity

Authors
Famini, GR Loumbev, VP Frykman, EK Wilson, LY
Citation
Gr. Famini et al., Using theoretical descriptors in a correlation analysis of adenosine activity, QSAR, 17(6), 1998, pp. 558-564
Citations number
32
Categorie Soggetti
Chemistry & Analysis
Journal title
QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS
ISSN journal
09318771 → ACNP
Volume
17
Issue
6
Year of publication
1998
Pages
558 - 564
Database
ISI
SICI code
0931-8771(199812)17:6<558:UTDIAC>2.0.ZU;2-7
Abstract
A theoretical linear salvation energy relationship (TLSER) is used as a mod el far relating two guinea pig heart muscle activities to a set of computat ionally derived molecular descriptors for a set of 24 2-alkoxy and 25 2-ary loxy adenosines. The resulting equations are consistent with the structure activity relationship (SAR) study showing an increase in activity at one si te with increase in substituent size and a hydrophobicity index.