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QSAR analysis of 1,4-dihydro-4-oxo-1-(2-thiazolyl)-1,8-naphthyridines with anticancer activity.

Abstract：

:In the present study a quantitative structure activity relationship (QSAR) analysis was applied to a series of 100 of 7- and 3-substituted 1,4-dihydro-4-oxo-1-(2-thiazolyl)-1,8-naphthyridine derivatives. The Chem-X (version 2000) software was used to develop 3D QSAR models. The steric and electrostatic interactions between a probe atom (H(+)) and a set of aligned molecules were assessed using the comparative molecular field analysis method. Statistically relevant models were derived for both electrostatic and steric fields. A 2D model over a restricted series of close structural analogs was derived as well. A number of conclusions on the relationship between the type and size of different substituents and the antitumor activity of the compounds were derived.

journal_name

Eur J Med Chem

journal_title

European journal of medicinal chemistry

authors

Atanasova M,Ilieva S,Galabov B

doi

10.1016/j.ejmech.2007.01.029

subject

Has Abstract

pub_date

2007-09-01 00:00:00

pages

1184-92

issue

9

eissn

0223-5234

issn

1768-3254

pii

S0223-5234(07)00080-3

journal_volume

42

pub_type

杂志文章

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