Current time in Korea 19:46 Jul 16 (Tue) Year 2019 KCS KCS Publications
KCS Publications
My Journal Log In Register
HOME > Search > Browsing(BKCS) > Archives

Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 15, Number 12
BKCSDE 15(12)
December 20, 1994 

 
Title
Quantitative Structure-Activity Relationship (QSAR) Study by Use of Theoretical Descriptors : Quinolone and Naphthyridine
Author
Keun Woo Lee, Hojing Kim*
Keywords
Abstract
Quantitative Structure-Activity Relationship (QSAR) studies are performed for the sets of 40 quinolones and 47 naphthyridines. Net charge, van der Waals volume, polarizability, and dipole moment are empolyed as theoretical descriptors(independent variables) to find the relationship between activity and physicochemical properties such as electrostatic effect, steric effect, and transferability. The results are analyzed by the regression and the factor analysis. It is found that for Gram-negative bacteria, the QSAR of quinolone and naphthyridine are substantially different: to describe the activity, the electrostatic effect is the most important for quinolone, and the steric effect and the transferability for naphthyridine.
Page
1070 - 1079
Full Text
PDF